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

C18H12ClFN4O2S — CID 50925150

IUPACN-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncccc3F)[nH]c2c1
InChIInChI=1S/C18H12ClFN4O2S/c19-12-4-1-2-6-14(12)24-27(25,26)11-7-8-15-16(10-11)23-18(22-15)17-13(20)5-3-9-21-17/h1-10,24H,(H,22,23)
InChIKeyPMOFFNFTFRGBBU-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.22
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50925150) has the molecular formula C18H12ClFN4O2S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
PubChem CID50925150
Molecular FormulaC18H12ClFN4O2S
Molecular Weight402.84 g/mol
Exact Mass402.04
IUPAC NameN-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncccc3F)[nH]c2c1
InChIInChI=1S/C18H12ClFN4O2S/c19-12-4-1-2-6-14(12)24-27(25,26)11-7-8-15-16(10-11)23-18(22-15)17-13(20)5-3-9-21-17/h1-10,24H,(H,22,23)
InChIKeyPMOFFNFTFRGBBU-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.22
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-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide (CID 50925150) is N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncccc3F)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is PMOFFNFTFRGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2S/c19-12-4-1-2-6-14(12)24-27(25,26)11-7-8-15-16(10-11)23-18(22-15)17-13(20)5-3-9-21-17/h1-10,24H,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 402.84 g/mol, XLogP of 4.22, 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-2-pyridinyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50925150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).