N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C21H25ClN2O4S — CID 999403

IUPACN-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-16-6-9-18(10-7-16)29(26,27)24(15-21(25)23-12-4-3-5-13-23)17-8-11-20(28-2)19(22)14-17/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyTVIHZJSJFLQIOC-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.86
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 999403) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID999403
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-16-6-9-18(10-7-16)29(26,27)24(15-21(25)23-12-4-3-5-13-23)17-8-11-20(28-2)19(22)14-17/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyTVIHZJSJFLQIOC-UHFFFAOYSA-N
XLogP3.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 4310490
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1239009
4-chloro-N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296448
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1106328
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 28589502
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-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
3-chloro-N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 92645686

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 999403) is N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is TVIHZJSJFLQIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-16-6-9-18(10-7-16)29(26,27)24(15-21(25)23-12-4-3-5-13-23)17-8-11-20(28-2)19(22)14-17/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 999403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).