3-chloro-4-(methanesulfonamido)-N-phenylbenzamide

C14H13ClN2O3S — CID 38014443

IUPAC3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)17-13-8-7-10(9-12(13)15)14(18)16-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18)
InChIKeyGTKHQUMCMSQIQN-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.96
Rot. Bonds4

About 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide

3-chloro-4-(methanesulfonamido)-N-phenylbenzamide (PubChem CID 38014443) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
PubChem CID38014443
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)17-13-8-7-10(9-12(13)15)14(18)16-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18)
InChIKeyGTKHQUMCMSQIQN-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
butyl 4-[[3-chloro-4-(methanesulfonamido)benzoyl]amino]benzoate
CID 92686022
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide (CID 38014443) is 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide?
The InChIKey is GTKHQUMCMSQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)17-13-8-7-10(9-12(13)15)14(18)16-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide?
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide has a molecular weight of 324.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-phenylbenzamide is sourced from PubChem (CID 38014443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).