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

C17H16F3N3O2S — CID 3864546

IUPAC4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H16F3N3O2S/c1-10(2)11-3-6-13(7-4-11)26(24,25)23-12-5-8-14-15(9-12)22-16(21-14)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)
InChIKeyMADVXTNMZWYWDY-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.51
Rot. Bonds4

About 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 3864546) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID3864546
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H16F3N3O2S/c1-10(2)11-3-6-13(7-4-11)26(24,25)23-12-5-8-14-15(9-12)22-16(21-14)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)
InChIKeyMADVXTNMZWYWDY-UHFFFAOYSA-N
XLogP4.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 3864546) is 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is MADVXTNMZWYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-10(2)11-3-6-13(7-4-11)26(24,25)23-12-5-8-14-15(9-12)22-16(21-14)17(18,19)20/h3-10,23H,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 3864546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).