4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C17H17ClN2O3S — CID 7636285

IUPAC4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O3S/c18-13-7-9-16(10-8-13)24(22,23)19-14-4-3-5-15(12-14)20-11-2-1-6-17(20)21/h3-5,7-10,12,19H,1-2,6,11H2
InChIKeyPUBQZRDLTSEPEM-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.66
Rot. Bonds4

About 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636285) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636285
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O3S/c18-13-7-9-16(10-8-13)24(22,23)19-14-4-3-5-15(12-14)20-11-2-1-6-17(20)21/h3-5,7-10,12,19H,1-2,6,11H2
InChIKeyPUBQZRDLTSEPEM-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
2,5-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 26268476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636285) is 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is PUBQZRDLTSEPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-13-7-9-16(10-8-13)24(22,23)19-14-4-3-5-15(12-14)20-11-2-1-6-17(20)21/h3-5,7-10,12,19H,1-2,6,11H2.
What are the key properties of 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).