3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid

C12H14N2O5S — CID 62091993

IUPAC3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C12H14N2O5S/c15-11-10(5-2-6-13-11)14-20(18,19)9-4-1-3-8(7-9)12(16)17/h1,3-4,7,10,14H,2,5-6H2,(H,13,15)(H,16,17)
InChIKeyNQRLRKXTWKPXSP-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.06
Rot. Bonds4

About 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid

3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid (PubChem CID 62091993) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
PubChem CID62091993
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C12H14N2O5S/c15-11-10(5-2-6-13-11)14-20(18,19)9-4-1-3-8(7-9)12(16)17/h1,3-4,7,10,14H,2,5-6H2,(H,13,15)(H,16,17)
InChIKeyNQRLRKXTWKPXSP-UHFFFAOYSA-N
XLogP-0.06
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 74249952
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62093994
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
3-(diethylsulfamoyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 51128604
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
3-[2-[(2-oxopiperidin-3-yl)amino]ethoxy]benzoic acid
CID 103248577
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid (CID 62091993) is 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1.
What is the InChIKey of 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid?
The InChIKey is NQRLRKXTWKPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c15-11-10(5-2-6-13-11)14-20(18,19)9-4-1-3-8(7-9)12(16)17/h1,3-4,7,10,14H,2,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid?
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid has a molecular weight of 298.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 62091993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).