Chem N Benzylidenebenzenesulfonamide Dsrpl

Compound 334
  CheckMol                        TMF02:r0:m0
MF=C13H11NO2S MW=245.30
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    1.3146   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    1.3146   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2909   -0.7343   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -0.7343   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5818    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3265   -2.2265   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8728   -0.7106   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9438   -0.6988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6411   -2.9608   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8609   -2.2029   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1637    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9557   -2.1910   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1518   -2.9490   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4546   -0.6988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4428   -2.1910   -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  2  3  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  9 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16 02  0  1  0  0
 15 17 02  0  1  0  0
 11 14 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

N-benzylidenebenzenesulfonamide

₹ 0.00 0.00

Chemical Name - N-benzylidenebenzenesulfonamide
Mol Weight - 245.301
Smiles - O=S(c1ccccc1)(N=Cc1ccccc1)=O

Property Name	Property Value
Mol Name	N-benzylidenebenzenesulfonamide
Molweight	245.301
Monoisotopic Mass	245.051049
Clogp	2.7955
Clogs	-3.032
H Acceptors	3
Total Surface Area	186.36
Relative Psa	0.21512
Polar Surface Area	54.88
Druglikeness	-6.872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64706
Molecular Flexibility	0.53201
Molecular Complexity	0.59188
Fragments	1
Non H Atoms	17
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	5
Basic Nitrogens	1
Smiles	O=S(c1ccccc1)(N=Cc1ccccc1)=O
InChIKey	InChI=1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H
InChI	MPNRJEPBAYEQBY-UHFFFAOYSA-N

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N-benzylidenebenzenesulfonamide