N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide

C16H16ClN3O4S — CID 92683312

IUPACN-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O4S/c1-10(21)18-12-4-3-5-13(9-12)19-16(22)11-6-7-15(14(17)8-11)20-25(2,23)24/h3-9,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeySVXJJJQUQSGBDX-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.92
Rot. Bonds5

About N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide

N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide (PubChem CID 92683312) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
PubChem CID92683312
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O4S/c1-10(21)18-12-4-3-5-13(9-12)19-16(22)11-6-7-15(14(17)8-11)20-25(2,23)24/h3-9,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeySVXJJJQUQSGBDX-UHFFFAOYSA-N
XLogP2.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
CID 49014176
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide (CID 92683312) is N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide?
The InChIKey is SVXJJJQUQSGBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-10(21)18-12-4-3-5-13(9-12)19-16(22)11-6-7-15(14(17)8-11)20-25(2,23)24/h3-9,20H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide?
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide has a molecular weight of 381.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92683312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).