N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide

C19H20F3N3O2S — CID 59177248

IUPACN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3N3O2S/c1-4-25-17-11-14(19(20,21)22)7-10-16(17)23-18(25)13(3)24-28(26,27)15-8-5-12(2)6-9-15/h5-11,13,24H,4H2,1-3H3/t13-/m1/s1
InChIKeyOCPCKFPFCKFYQJ-CYBMUJFWSA-N
MW411.45 g/mol
LogP4.42
Rot. Bonds5

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

N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 59177248) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID59177248
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3N3O2S/c1-4-25-17-11-14(19(20,21)22)7-10-16(17)23-18(25)13(3)24-28(26,27)15-8-5-12(2)6-9-15/h5-11,13,24H,4H2,1-3H3/t13-/m1/s1
InChIKeyOCPCKFPFCKFYQJ-CYBMUJFWSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide (CID 59177248) is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is OCPCKFPFCKFYQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-4-25-17-11-14(19(20,21)22)7-10-16(17)23-18(25)13(3)24-28(26,27)15-8-5-12(2)6-9-15/h5-11,13,24H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 59177248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).