3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C25H25ClN4O3S — CID 112767820

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClN4O3S/c1-18-28-23-12-3-4-13-24(23)30(18)15-7-14-27-25(31)19-8-5-11-22(16-19)34(32,33)29(2)21-10-6-9-20(26)17-21/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,27,31)
InChIKeyCFVFEBZHPURINI-UHFFFAOYSA-N
MW497.02 g/mol
LogP4.64
Rot. Bonds8

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 112767820) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID112767820
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClN4O3S/c1-18-28-23-12-3-4-13-24(23)30(18)15-7-14-27-25(31)19-8-5-11-22(16-19)34(32,33)29(2)21-10-6-9-20(26)17-21/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,27,31)
InChIKeyCFVFEBZHPURINI-UHFFFAOYSA-N
XLogP4.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.02
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 112767820) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is Cc1nc2ccccc2n1CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is CFVFEBZHPURINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c1-18-28-23-12-3-4-13-24(23)30(18)15-7-14-27-25(31)19-8-5-11-22(16-19)34(32,33)29(2)21-10-6-9-20(26)17-21/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,27,31).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 497.02 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 112767820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).