2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide

C15H15ClN2O4S — CID 1102414

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(16)9-13(14)18(10-15(17)19)23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyNEEPZTLOQFHGEX-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.03
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide (PubChem CID 1102414) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
PubChem CID1102414
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(16)9-13(14)18(10-15(17)19)23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyNEEPZTLOQFHGEX-UHFFFAOYSA-N
XLogP2.03
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
CID 126269673
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
N-(5-chloro-2-methoxyphenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
CID 1138015
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078051
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-pyridin-3-ylacetamide
CID 1148684

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide (CID 1102414) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide is COc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide?
The InChIKey is NEEPZTLOQFHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(16)9-13(14)18(10-15(17)19)23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide has a molecular weight of 354.82 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide is sourced from PubChem (CID 1102414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).