2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C16H17ClN2O4S — CID 998269

IUPAC2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-11-3-6-13(7-4-11)24(21,22)19(10-16(18)20)12-5-8-15(23-2)14(17)9-12/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyLWNUYDWWCHWOEJ-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.34
Rot. Bonds6

About 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 998269) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID998269
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-11-3-6-13(7-4-11)24(21,22)19(10-16(18)20)12-5-8-15(23-2)14(17)9-12/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyLWNUYDWWCHWOEJ-UHFFFAOYSA-N
XLogP2.34
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94864077
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307425
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894998
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100512668
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43885290

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 998269) is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is LWNUYDWWCHWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11-3-6-13(7-4-11)24(21,22)19(10-16(18)20)12-5-8-15(23-2)14(17)9-12/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 368.84 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).