N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide

C20H13ClF3N3O2S — CID 50925307

IUPACN-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C20H13ClF3N3O2S/c21-15-7-3-4-8-16(15)27-30(28,29)12-9-10-17-18(11-12)26-19(25-17)13-5-1-2-6-14(13)20(22,23)24/h1-11,27H,(H,25,26)
InChIKeyXNYZAGYVIVYLNM-UHFFFAOYSA-N
MW451.86 g/mol
LogP5.70
Rot. Bonds4

About N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 50925307) has the molecular formula C20H13ClF3N3O2S and a molecular weight of 451.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide
PubChem CID50925307
Molecular FormulaC20H13ClF3N3O2S
Molecular Weight451.86 g/mol
Exact Mass451.04
IUPAC NameN-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C20H13ClF3N3O2S/c21-15-7-3-4-8-16(15)27-30(28,29)12-9-10-17-18(11-12)26-19(25-17)13-5-1-2-6-14(13)20(22,23)24/h1-11,27H,(H,25,26)
InChIKeyXNYZAGYVIVYLNM-UHFFFAOYSA-N
XLogP5.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide (CID 50925307) is N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is XNYZAGYVIVYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O2S/c21-15-7-3-4-8-16(15)27-30(28,29)12-9-10-17-18(11-12)26-19(25-17)13-5-1-2-6-14(13)20(22,23)24/h1-11,27H,(H,25,26).
What are the key properties of N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 451.86 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50925307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).