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

C15H13N3O3S — CID 2495004

IUPACN-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O3S/c1-22(20,21)13-9-5-2-6-10(13)14(19)18-15-16-11-7-3-4-8-12(11)17-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyMSBNVBNEXQTGJU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.22
Rot. Bonds3

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

N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide (PubChem CID 2495004) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
PubChem CID2495004
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O3S/c1-22(20,21)13-9-5-2-6-10(13)14(19)18-15-16-11-7-3-4-8-12(11)17-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyMSBNVBNEXQTGJU-UHFFFAOYSA-N
XLogP2.22
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide (CID 2495004) is N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide?
The InChIKey is MSBNVBNEXQTGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-22(20,21)13-9-5-2-6-10(13)14(19)18-15-16-11-7-3-4-8-12(11)17-15/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide?
N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 2495004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).