N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide

C19H15ClN4O2S — CID 50923095

IUPACN-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide
SMILESCN(c1ccccc1Cl)S(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H15ClN4O2S/c1-24(18-8-3-2-6-14(18)20)27(25,26)13-9-10-15-17(12-13)23-19(22-15)16-7-4-5-11-21-16/h2-12H,1H3,(H,22,23)
InChIKeyKAFZAJKNEBMBLW-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.10
Rot. Bonds4

About N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide (PubChem CID 50923095) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide
PubChem CID50923095
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide
SMILESCN(c1ccccc1Cl)S(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H15ClN4O2S/c1-24(18-8-3-2-6-14(18)20)27(25,26)13-9-10-15-17(12-13)23-19(22-15)16-7-4-5-11-21-16/h2-12H,1H3,(H,22,23)
InChIKeyKAFZAJKNEBMBLW-UHFFFAOYSA-N
XLogP4.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide (CID 50923095) is N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide is CN(c1ccccc1Cl)S(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide?
The InChIKey is KAFZAJKNEBMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-24(18-8-3-2-6-14(18)20)27(25,26)13-9-10-15-17(12-13)23-19(22-15)16-7-4-5-11-21-16/h2-12H,1H3,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50923095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).