4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide

C25H25ClN4O3S — CID 50825285

IUPAC4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)cc1
InChIInChI=1S/C25H25ClN4O3S/c1-4-30(5-2)25(31)18-8-6-17(7-9-18)24-27-22-16-20(12-15-23(22)29(24)3)28-34(32,33)21-13-10-19(26)11-14-21/h6-16,28H,4-5H2,1-3H3
InChIKeyIRUXAGLTAUMJHX-UHFFFAOYSA-N
MW497.02 g/mol
LogP5.18
Rot. Bonds7

About 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide

4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide (PubChem CID 50825285) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
PubChem CID50825285
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC Name4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)cc1
InChIInChI=1S/C25H25ClN4O3S/c1-4-30(5-2)25(31)18-8-6-17(7-9-18)24-27-22-16-20(12-15-23(22)29(24)3)28-34(32,33)21-13-10-19(26)11-14-21/h6-16,28H,4-5H2,1-3H3
InChIKeyIRUXAGLTAUMJHX-UHFFFAOYSA-N
XLogP5.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-[(3,4-dimethylphenyl)sulfamoyl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 78796492
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43962980

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide (CID 50825285) is 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)cc1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide?
The InChIKey is IRUXAGLTAUMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c1-4-30(5-2)25(31)18-8-6-17(7-9-18)24-27-22-16-20(12-15-23(22)29(24)3)28-34(32,33)21-13-10-19(26)11-14-21/h6-16,28H,4-5H2,1-3H3.
What are the key properties of 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide?
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide has a molecular weight of 497.02 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 50825285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).