2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide

C19H16ClNO2S — CID 166324507

IUPAC2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1Cl
InChIInChI=1S/C19H16ClNO2S/c1-14-8-7-13-18(19(14)20)24(22,23)21-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-13,21H,1H3
InChIKeyPRHGTXYMRBMSMQ-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.12
Rot. Bonds4

About 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide

2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 166324507) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID166324507
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1Cl
InChIInChI=1S/C19H16ClNO2S/c1-14-8-7-13-18(19(14)20)24(22,23)21-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-13,21H,1H3
InChIKeyPRHGTXYMRBMSMQ-UHFFFAOYSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
CID 86807271
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 166324500
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-(methylsulfamoyl)-2-phenylaniline
CID 19906873
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide (CID 166324507) is 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is PRHGTXYMRBMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-14-8-7-13-18(19(14)20)24(22,23)21-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-13,21H,1H3.
What are the key properties of 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide?
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 357.86 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 166324507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).