N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C23H27N5O4S — CID 55584938

IUPACN-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H27N5O4S/c29-22(28-13-11-27(12-14-28)16-5-1-2-6-16)18-7-3-4-8-19(18)26-33(31,32)17-9-10-20-21(15-17)25-23(30)24-20/h3-4,7-10,15-16,26H,1-2,5-6,11-14H2,(H2,24,25,30)
InChIKeyBPUBJMCTIOLPKG-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 55584938) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID55584938
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H27N5O4S/c29-22(28-13-11-27(12-14-28)16-5-1-2-6-16)18-7-3-4-8-19(18)26-33(31,32)17-9-10-20-21(15-17)25-23(30)24-20/h3-4,7-10,15-16,26H,1-2,5-6,11-14H2,(H2,24,25,30)
InChIKeyBPUBJMCTIOLPKG-UHFFFAOYSA-N
XLogP2.36
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 55526238
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55535615
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657099
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 55584938) is N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is BPUBJMCTIOLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c29-22(28-13-11-27(12-14-28)16-5-1-2-6-16)18-7-3-4-8-19(18)26-33(31,32)17-9-10-20-21(15-17)25-23(30)24-20/h3-4,7-10,15-16,26H,1-2,5-6,11-14H2,(H2,24,25,30).
What are the key properties of N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 469.57 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 55584938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).