Chem 4 Acetamido 3 Chlorobenzenesulfonylchloride Dsrpl

Compound 291
  CheckMol                        TMF02:r0:m0
MF=C8H7Cl2NO3S MW=268.11
 15 15  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2924    0.7588   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336    2.0749   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275   -0.5336   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848    1.5177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5729    3.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8772    0.7826   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8653    3.7942   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1696    1.5414   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8535    5.3119   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1577    3.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4501    3.8060   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7425    3.0709   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7307    1.5770   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0349    3.8298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

4-Acetamido-3-chlorobenzenesulfonylchloride

₹ 0.00 0.00

Chemical Name - 4-Acetamido-3-chlorobenzenesulfonylchloride
Mol Weight - 268.12
Smiles - CC(Nc(ccc(S(Cl)(=O)=O)c1)c1Cl)=O

Property Name	Property Value
Mol Name	4-Acetamido-3-chlorobenzenesulfonylchloride
Molweight	268.12
Monoisotopic Mass	266.952368
Clogp	0.9202
Clogs	-4.438
H Acceptors	4
H Donors	1
Total Surface Area	174.15
Relative Psa	0.30479
Polar Surface Area	71.62
Druglikeness	-13.605
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.6
Molecular Flexibility	0.46153
Molecular Complexity	0.66071
Fragments	1
Non H Atoms	15
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	1
Amides	1
Smiles	CC(Nc(ccc(S(Cl)(=O)=O)c1)c1Cl)=O
InChIKey	InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
InChI	ALOQYFFSHSEVJH-UHFFFAOYSA-N

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4-Acetamido-3-chlorobenzenesulfonylchloride