2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

C16H17ClN2O5S — CID 1006525

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClN2O5S/c1-23-14-8-5-12(9-15(14)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyWNXXTJPSPYTNME-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.27
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1006525) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1006525
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClN2O5S/c1-23-14-8-5-12(9-15(14)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyWNXXTJPSPYTNME-UHFFFAOYSA-N
XLogP2.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
1-((4-chlorophenyl)sulfonyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine-2-carboxamide
CID 649844
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)acetamide
CID 1006478
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1085423
2-[(4-Chloro-phenyl)-methanesulfonyl-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1107867
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1108101
Cambridge id 6476645
CID 1148607
2-[3-(acetylamino)phenoxy]-N-[(4-chlorophenyl)sulfonyl]acetamide
CID 1266501
N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 1289244

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (CID 1006525) is 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is WNXXTJPSPYTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-23-14-8-5-12(9-15(14)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 384.84 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1006525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).