N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide

C21H18ClNO3S — CID 19210699

IUPACN-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H18ClNO3S/c1-15-12-13-16(2)20(14-15)23(21(24)18-10-6-7-11-19(18)22)27(25,26)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyUUKJWMXGZILGMF-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.99
Rot. Bonds4

About N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide

N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide (PubChem CID 19210699) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
PubChem CID19210699
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC NameN-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H18ClNO3S/c1-15-12-13-16(2)20(14-15)23(21(24)18-10-6-7-11-19(18)22)27(25,26)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyUUKJWMXGZILGMF-UHFFFAOYSA-N
XLogP4.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 19220313
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
CID 19211584
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
CID 19211287
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl chloride
CID 50891647
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-2-(4-phenylphenoxy)acetamide
CID 19217899

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide (CID 19210699) is N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is UUKJWMXGZILGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c1-15-12-13-16(2)20(14-15)23(21(24)18-10-6-7-11-19(18)22)27(25,26)17-8-4-3-5-9-17/h3-14H,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide?
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 399.90 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 19210699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).