2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

C19H20F3N3O2S — CID 5102699

IUPAC2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c(C)c1C
InChIInChI=1S/C19H20F3N3O2S/c1-9-10(2)12(4)17(13(5)11(9)3)28(26,27)25-14-6-7-15-16(8-14)24-18(23-15)19(20,21)22/h6-8,25H,1-5H3,(H,23,24)
InChIKeyIQKSAFVFOQGHMT-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.92
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 5102699) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID5102699
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c(C)c1C
InChIInChI=1S/C19H20F3N3O2S/c1-9-10(2)12(4)17(13(5)11(9)3)28(26,27)25-14-6-7-15-16(8-14)24-18(23-15)19(20,21)22/h6-8,25H,1-5H3,(H,23,24)
InChIKeyIQKSAFVFOQGHMT-UHFFFAOYSA-N
XLogP4.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 5102699) is 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is IQKSAFVFOQGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-9-10(2)12(4)17(13(5)11(9)3)28(26,27)25-14-6-7-15-16(8-14)24-18(23-15)19(20,21)22/h6-8,25H,1-5H3,(H,23,24).
What are the key properties of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 5102699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).