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

C23H27N5O5S — CID 55526238

IUPAC2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H27N5O5S/c29-22(28-11-9-27(10-12-28)15-16-4-3-13-33-16)18-5-1-2-6-19(18)26-34(31,32)17-7-8-20-21(14-17)25-23(30)24-20/h1-2,5-8,14,16,26H,3-4,9-13,15H2,(H2,24,25,30)
InChIKeyHWCUAEUPWODLPJ-UHFFFAOYSA-N
MW485.57 g/mol
LogP1.59
Rot. Bonds6

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

2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 55526238) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID55526238
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC Name2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H27N5O5S/c29-22(28-11-9-27(10-12-28)15-16-4-3-13-33-16)18-5-1-2-6-19(18)26-34(31,32)17-7-8-20-21(14-17)25-23(30)24-20/h1-2,5-8,14,16,26H,3-4,9-13,15H2,(H2,24,25,30)
InChIKeyHWCUAEUPWODLPJ-UHFFFAOYSA-N
XLogP1.59
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 55584938
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile
CID 51198255
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657099
N-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55543134
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55535615
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 55526238) is 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is HWCUAEUPWODLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c29-22(28-11-9-27(10-12-28)15-16-4-3-13-33-16)18-5-1-2-6-19(18)26-34(31,32)17-7-8-20-21(14-17)25-23(30)24-20/h1-2,5-8,14,16,26H,3-4,9-13,15H2,(H2,24,25,30).
What are the key properties of 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 485.57 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 55526238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).