3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

C15H12F3N3O2S — CID 4669195

IUPAC3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C15H12F3N3O2S/c1-9-3-2-4-11(7-9)24(22,23)21-10-5-6-12-13(8-10)20-14(19-12)15(16,17)18/h2-8,21H,1H3,(H,19,20)
InChIKeySSJZUXCFJZUUFY-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.69
Rot. Bonds3

About 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 4669195) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID4669195
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C15H12F3N3O2S/c1-9-3-2-4-11(7-9)24(22,23)21-10-5-6-12-13(8-10)20-14(19-12)15(16,17)18/h2-8,21H,1H3,(H,19,20)
InChIKeySSJZUXCFJZUUFY-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 3608077
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 5102699
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087
2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 3695952
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
CID 42545343
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17415879
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
1-(2-nitrophenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanesulfonamide
CID 5159145

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 4669195) is 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is SSJZUXCFJZUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-9-3-2-4-11(7-9)24(22,23)21-10-5-6-12-13(8-10)20-14(19-12)15(16,17)18/h2-8,21H,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 355.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4669195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).