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

C17H18N2O3S — CID 7636091

IUPACN-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c20-17-8-4-5-13-19(17)15-11-9-14(10-12-15)18-23(21,22)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeySZCYNRJZVDPVID-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.00
Rot. Bonds4

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

N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636091) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636091
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c20-17-8-4-5-13-19(17)15-11-9-14(10-12-15)18-23(21,22)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeySZCYNRJZVDPVID-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553974
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636091) is N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCCN1c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is SZCYNRJZVDPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17-8-4-5-13-19(17)15-11-9-14(10-12-15)18-23(21,22)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13H2.
What are the key properties of N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).