N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide

C15H13N3O3S — CID 34338436

IUPACN-(benzimidazol-1-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H13N3O3S/c1-22(20,21)14-9-5-2-6-11(14)15(19)17-18-10-16-12-7-3-4-8-13(12)18/h2-10H,1H3,(H,17,19)
InChIKeyQWAMQZOAEUWSKM-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.82
Rot. Bonds3

About N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide

N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide (PubChem CID 34338436) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-methylsulfonylbenzamide
PubChem CID34338436
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(benzimidazol-1-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H13N3O3S/c1-22(20,21)14-9-5-2-6-11(14)15(19)17-18-10-16-12-7-3-4-8-13(12)18/h2-10H,1H3,(H,17,19)
InChIKeyQWAMQZOAEUWSKM-UHFFFAOYSA-N
XLogP1.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide (CID 34338436) is N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide?
The InChIKey is QWAMQZOAEUWSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-22(20,21)14-9-5-2-6-11(14)15(19)17-18-10-16-12-7-3-4-8-13(12)18/h2-10H,1H3,(H,17,19).
What are the key properties of N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide?
N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide has a molecular weight of 315.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 34338436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).