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

C14H10F3N3O2S — CID 804124

IUPACN-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)13-18-11-7-6-9(8-12(11)19-13)20-23(21,22)10-4-2-1-3-5-10/h1-8,20H,(H,18,19)
InChIKeyDRWHKICXWVEODN-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.38
Rot. Bonds3

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

N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 804124) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID804124
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)13-18-11-7-6-9(8-12(11)19-13)20-23(21,22)10-4-2-1-3-5-10/h1-8,20H,(H,18,19)
InChIKeyDRWHKICXWVEODN-UHFFFAOYSA-N
XLogP3.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 804124) is N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is DRWHKICXWVEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)13-18-11-7-6-9(8-12(11)19-13)20-23(21,22)10-4-2-1-3-5-10/h1-8,20H,(H,18,19).
What are the key properties of N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 341.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 804124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).