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

C17H17ClN2O3S — CID 7636299

IUPAC2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-1-2-9-16(15)24(22,23)19-13-6-5-7-14(12-13)20-11-4-3-10-17(20)21/h1-2,5-9,12,19H,3-4,10-11H2
InChIKeyCZVBTFMMXCPDRG-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.66
Rot. Bonds4

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

2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636299) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636299
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-1-2-9-16(15)24(22,23)19-13-6-5-7-14(12-13)20-11-4-3-10-17(20)21/h1-2,5-9,12,19H,3-4,10-11H2
InChIKeyCZVBTFMMXCPDRG-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

2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
2,5-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 26268476
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636299) is 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is CZVBTFMMXCPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-15-8-1-2-9-16(15)24(22,23)19-13-6-5-7-14(12-13)20-11-4-3-10-17(20)21/h1-2,5-9,12,19H,3-4,10-11H2.
What are the key properties of 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
2-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 2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).