N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide

C19H21F3N4O2S — CID 24985571

IUPACN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2cc(C)nc(C)c2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H21F3N4O2S/c1-5-26-17-10-14(19(20,21)22)6-7-16(17)24-18(26)13(4)25-29(27,28)15-8-11(2)23-12(3)9-15/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1
InChIKeyUTKFPRHSXYJZMW-CYBMUJFWSA-N
MW426.46 g/mol
LogP4.13
Rot. Bonds5

About N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide

N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide (PubChem CID 24985571) has the molecular formula C19H21F3N4O2S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
PubChem CID24985571
Molecular FormulaC19H21F3N4O2S
Molecular Weight426.46 g/mol
Exact Mass426.13
IUPAC NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2cc(C)nc(C)c2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H21F3N4O2S/c1-5-26-17-10-14(19(20,21)22)6-7-16(17)24-18(26)13(4)25-29(27,28)15-8-11(2)23-12(3)9-15/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1
InChIKeyUTKFPRHSXYJZMW-CYBMUJFWSA-N
XLogP4.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide (CID 24985571) is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2cc(C)nc(C)c2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide?
The InChIKey is UTKFPRHSXYJZMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21F3N4O2S/c1-5-26-17-10-14(19(20,21)22)6-7-16(17)24-18(26)13(4)25-29(27,28)15-8-11(2)23-12(3)9-15/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide?
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide has a molecular weight of 426.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide is sourced from PubChem (CID 24985571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).