2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C17H18N2O4S — CID 167788277

IUPAC2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2cccc(N3CCCCC3=O)c2)ccc1O
InChIInChI=1S/C17H18N2O4S/c18-24(22,23)16-11-13(7-8-15(16)20)12-4-3-5-14(10-12)19-9-2-1-6-17(19)21/h3-5,7-8,10-11,20H,1-2,6,9H2,(H2,18,22,23)
InChIKeyOUQJKXFRSFTJLQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.22
Rot. Bonds3

About 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 167788277) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID167788277
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2cccc(N3CCCCC3=O)c2)ccc1O
InChIInChI=1S/C17H18N2O4S/c18-24(22,23)16-11-13(7-8-15(16)20)12-4-3-5-14(10-12)19-9-2-1-6-17(19)21/h3-5,7-8,10-11,20H,1-2,6,9H2,(H2,18,22,23)
InChIKeyOUQJKXFRSFTJLQ-UHFFFAOYSA-N
XLogP2.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 55257523
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
1-(3-nitrophenyl)piperidin-2-one
CID 46786184
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
4-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]phenyl]piperazine-1-carbaldehyde
CID 167101884
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide
CID 154999224
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 167788277) is 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is NS(=O)(=O)c1cc(-c2cccc(N3CCCCC3=O)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is OUQJKXFRSFTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c18-24(22,23)16-11-13(7-8-15(16)20)12-4-3-5-14(10-12)19-9-2-1-6-17(19)21/h3-5,7-8,10-11,20H,1-2,6,9H2,(H2,18,22,23).
What are the key properties of 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 167788277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).