Chem 1 Phenylsulfonyl 1h Pyrrole 2 Carbaldehyde Dsrpl

Compound 329
  CheckMol                        TMF02:r0:m0
MF=C11H9NO3S MW=235.26
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.3114   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7680    1.3114   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.7443   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2878   -0.7443   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6938   -0.1181   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4769   -2.2212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2760   -2.2330   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5756    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7099   -1.2169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0128    1.3587   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9537   -2.5166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5638   -2.9773   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8635   -0.7325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4542    1.8313   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516   -2.2212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6 01  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  6 11  1  0  0  0  0
  7 12 02  0  1  0  0
  8 13 01  0  1  0  0
  9 14 02  0  1  0  0
 11 15  2  0  0  0  0
 13 16 02  0  1  0  0
 10 12 01  0  1  0  0
 14 16 01  0  1  0  0
M  END

1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde

₹ 0.00 0.00

Chemical Name - 1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde
Mol Weight - 235.262
Smiles - O=Cc1cccn1S(c1ccccc1)(=O)=O

Property Name	Property Value
Mol Name	1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde
Molweight	235.262
Monoisotopic Mass	235.030314
Clogp	0.6206
Clogs	-4.487
H Acceptors	4
Total Surface Area	170.34
Relative Psa	0.28467
Polar Surface Area	64.52
Druglikeness	-7.4178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.5625
Molecular Flexibility	0.48242
Molecular Complexity	0.70798
Fragments	1
Non H Atoms	16
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Symmetric Atoms	3
Aromatic Nitrogens	1
Smiles	O=Cc1cccn1S(c1ccccc1)(=O)=O
InChIKey	InChI=1S/C11H9NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChI	XZMIDORMXBMWTQ-UHFFFAOYSA-N

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1 - 1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde
2 - 1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde

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1-(Phenylsulfonyl)-1H-pyrrole-2-carbaldehyde