N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C20H23ClN2O4S — CID 1318370

IUPACN-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23(17-7-5-6-16(21)14-17)15-20(24)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyMJZJTPSEMGMAKY-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.56
Rot. Bonds6

About N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1318370) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1318370
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23(17-7-5-6-16(21)14-17)15-20(24)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyMJZJTPSEMGMAKY-UHFFFAOYSA-N
XLogP3.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502499
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 53280407
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate
CID 2899671
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1318370) is N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is MJZJTPSEMGMAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23(17-7-5-6-16(21)14-17)15-20(24)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).