N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide

C19H14ClFN4O2S — CID 70573776

IUPACN-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1cnc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-11-8-14(21)18(22-10-11)19-23-16-7-6-12(9-17(16)24-19)28(26,27)25-15-5-3-2-4-13(15)20/h2-10,25H,1H3,(H,23,24)
InChIKeyAORLOGLSULSOJG-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.53
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 70573776) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
PubChem CID70573776
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1cnc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-11-8-14(21)18(22-10-11)19-23-16-7-6-12(9-17(16)24-19)28(26,27)25-15-5-3-2-4-13(15)20/h2-10,25H,1H3,(H,23,24)
InChIKeyAORLOGLSULSOJG-UHFFFAOYSA-N
XLogP4.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (CID 70573776) is N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is Cc1cnc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is AORLOGLSULSOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-11-8-14(21)18(22-10-11)19-23-16-7-6-12(9-17(16)24-19)28(26,27)25-15-5-3-2-4-13(15)20/h2-10,25H,1H3,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 416.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-fluoro-5-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 70573776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).