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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Related Compounds

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CID 9889902
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CID 162656068
2-(6-(2-fluorophenyl)pyridin-3-yl)-6-(methylsulfonyl)-1H-benzo[d]imidazole
CID 44465737
2-[5-(2-Fluorophenyl)pyridin-2-yl]-6-(methylsulfonyl)-1H-benzimidazole
CID 44465738
4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177064
6-methanesulfonyl-2-(pyridin-2-yl)-1H-1,3-benzodiazole
CID 49804931
N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide
CID 4782700
5-{[4-(3-Chlorophenyl)piperazin-1-YL]sulfonyl}-2-phenyl-1H-1,3-benzodiazole
CID 9550297
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
CID 9551101
N-[5-(2-amino-3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53387571
N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53387572
4-(dimethylamino)-N-methyl-3-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 127052706

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).