N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide

C12H14N4O3S — CID 169489698

IUPACN-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide
SMILESO=C1N=c2ccc(NS(=O)(=O)C3CCNCC3)cc2=N1
InChIInChI=1S/C12H14N4O3S/c17-12-14-10-2-1-8(7-11(10)15-12)16-20(18,19)9-3-5-13-6-4-9/h1-2,7,9,13,16H,3-6H2
InChIKeyGUGRBKOLLVQKJM-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.45
Rot. Bonds3

About N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide

N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide (PubChem CID 169489698) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide
PubChem CID169489698
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide
SMILESO=C1N=c2ccc(NS(=O)(=O)C3CCNCC3)cc2=N1
InChIInChI=1S/C12H14N4O3S/c17-12-14-10-2-1-8(7-11(10)15-12)16-20(18,19)9-3-5-13-6-4-9/h1-2,7,9,13,16H,3-6H2
InChIKeyGUGRBKOLLVQKJM-UHFFFAOYSA-N
XLogP-0.45
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
CID 22567034
N-naphthalen-2-ylpyrrolidine-3-sulfonamide
CID 65420043
N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide
CID 65420027
N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
CID 79049357
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
CID 64554918
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide
CID 65419606
N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide
CID 65421563
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide
CID 107626790
N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
CID 105360645

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide?
The IUPAC name of N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide (CID 169489698) is N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide?
The canonical SMILES for N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide is O=C1N=c2ccc(NS(=O)(=O)C3CCNCC3)cc2=N1.
What is the InChIKey of N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide?
The InChIKey is GUGRBKOLLVQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c17-12-14-10-2-1-8(7-11(10)15-12)16-20(18,19)9-3-5-13-6-4-9/h1-2,7,9,13,16H,3-6H2.
What are the key properties of N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide?
N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 169489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).