2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide

C21H17Cl2NO3S — CID 19210700

IUPAC2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17Cl2NO3S/c1-14-7-8-15(2)20(13-14)24(21(25)18-5-3-4-6-19(18)23)28(26,27)17-11-9-16(22)10-12-17/h3-13H,1-2H3
InChIKeyYOYUAAROESTEMX-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.65
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide (PubChem CID 19210700) has the molecular formula C21H17Cl2NO3S and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
PubChem CID19210700
Molecular FormulaC21H17Cl2NO3S
Molecular Weight434.34 g/mol
Exact Mass433.03
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17Cl2NO3S/c1-14-7-8-15(2)20(13-14)24(21(25)18-5-3-4-6-19(18)23)28(26,27)17-11-9-16(22)10-12-17/h3-13H,1-2H3
InChIKeyYOYUAAROESTEMX-UHFFFAOYSA-N
XLogP5.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
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)benzamide
CID 19210622
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-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
2-chloro-N-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34309505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide (CID 19210700) is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is YOYUAAROESTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3S/c1-14-7-8-15(2)20(13-14)24(21(25)18-5-3-4-6-19(18)23)28(26,27)17-11-9-16(22)10-12-17/h3-13H,1-2H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide?
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 434.34 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 19210700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).