4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide

C13H11Cl2NO2S — CID 839413

IUPAC4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-9-8-10(6-7-11(9)14)19(17,18)16-13-5-3-2-4-12(13)15/h2-8,16H,1H3
InChIKeyFMFXHZXDEYPLFS-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.10
Rot. Bonds3

About 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide

4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide (PubChem CID 839413) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
PubChem CID839413
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-9-8-10(6-7-11(9)14)19(17,18)16-13-5-3-2-4-12(13)15/h2-8,16H,1H3
InChIKeyFMFXHZXDEYPLFS-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide (CID 839413) is 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is FMFXHZXDEYPLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-9-8-10(6-7-11(9)14)19(17,18)16-13-5-3-2-4-12(13)15/h2-8,16H,1H3.
What are the key properties of 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide?
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 316.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 839413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).