4-chloro-N-(2-methylphenyl)sulfonylbenzamide

C28H24Cl2N2O6S2 — CID 139079289

IUPAC4-chloro-N-(2-methylphenyl)sulfonylbenzamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C14H12ClNO3S/c2*1-10-4-2-3-5-13(10)20(18,19)16-14(17)11-6-8-12(15)9-7-11/h2*2-9H,1H3,(H,16,17)
InChIKeyFUQMVZGPQJTQQF-UHFFFAOYSA-N
MW619.55 g/mol
LogP5.53
Rot. Bonds6

About 4-chloro-N-(2-methylphenyl)sulfonylbenzamide

4-chloro-N-(2-methylphenyl)sulfonylbenzamide (PubChem CID 139079289) has the molecular formula C28H24Cl2N2O6S2 and a molecular weight of 619.55 g/mol. Its IUPAC name is 4-chloro-N-(2-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylphenyl)sulfonylbenzamide
PubChem CID139079289
Molecular FormulaC28H24Cl2N2O6S2
Molecular Weight619.55 g/mol
Exact Mass618.05
IUPAC Name4-chloro-N-(2-methylphenyl)sulfonylbenzamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C14H12ClNO3S/c2*1-10-4-2-3-5-13(10)20(18,19)16-14(17)11-6-8-12(15)9-7-11/h2*2-9H,1H3,(H,16,17)
InChIKeyFUQMVZGPQJTQQF-UHFFFAOYSA-N
XLogP5.53
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.55
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
(2-methylphenyl)sulfonylurea
CID 20975378
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
4-chloro-N-quinolin-5-ylsulfonylbenzamide
CID 154806109
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
sodium N-(4-chlorobenzoyl)sulfamate
CID 23702299
sodium;N-chloro-2-methylbenzenesulfonamide;hydride
CID 173064150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-methylphenyl)sulfonylbenzamide (CID 139079289) is 4-chloro-N-(2-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-methylphenyl)sulfonylbenzamide is Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylphenyl)sulfonylbenzamide?
The InChIKey is FUQMVZGPQJTQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12ClNO3S/c2*1-10-4-2-3-5-13(10)20(18,19)16-14(17)11-6-8-12(15)9-7-11/h2*2-9H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-methylphenyl)sulfonylbenzamide?
4-chloro-N-(2-methylphenyl)sulfonylbenzamide has a molecular weight of 619.55 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 139079289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).