N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide

C16H16ClN3O4S — CID 28635588

IUPACN-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C16H16ClN3O4S/c1-10(21)18-11-4-3-5-12(8-11)19-16(22)14-7-6-13(9-15(14)17)20-25(2,23)24/h3-9,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyJYDVVOQXNTUSJK-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.92
Rot. Bonds5

About N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide

N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide (PubChem CID 28635588) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
PubChem CID28635588
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C16H16ClN3O4S/c1-10(21)18-11-4-3-5-12(8-11)19-16(22)14-7-6-13(9-15(14)17)20-25(2,23)24/h3-9,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyJYDVVOQXNTUSJK-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

2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
2-chloro-N-(4-chloro-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28580400
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 99957500
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide (CID 28635588) is N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide?
The InChIKey is JYDVVOQXNTUSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-10(21)18-11-4-3-5-12(8-11)19-16(22)14-7-6-13(9-15(14)17)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)-2-chloro-4-(methanesulfonamido)benzamide?
N-(3-acetamidophenyl)-2-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)-2-chloro-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 28635588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).