2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide

C15H15ClN2O4S — CID 1372382

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)18(10-15(17)19)23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyFUVIRRJQLMAORE-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.03
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide (PubChem CID 1372382) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
PubChem CID1372382
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)18(10-15(17)19)23(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyFUVIRRJQLMAORE-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

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1239009
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide (CID 1372382) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide is COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide?
The InChIKey is FUVIRRJQLMAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)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)-3-chloro-4-methoxyanilino]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-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)-3-chloro-4-methoxyanilino]acetamide is sourced from PubChem (CID 1372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).