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

C18H18F3N3O2S — CID 59177003

IUPACN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H18F3N3O2S/c1-3-24-16-11-13(18(19,20)21)9-10-15(16)22-17(24)12(2)23-27(25,26)14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/t12-/m1/s1
InChIKeyWTCZLNOVVTULFB-GFCCVEGCSA-N
MW397.42 g/mol
LogP4.11
Rot. Bonds5

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

N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 59177003) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID59177003
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H18F3N3O2S/c1-3-24-16-11-13(18(19,20)21)9-10-15(16)22-17(24)12(2)23-27(25,26)14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/t12-/m1/s1
InChIKeyWTCZLNOVVTULFB-GFCCVEGCSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.11
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]benzenesulfonamide?
The IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide (CID 59177003) is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is WTCZLNOVVTULFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-3-24-16-11-13(18(19,20)21)9-10-15(16)22-17(24)12(2)23-27(25,26)14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 397.42 g/mol, XLogP of 4.11, 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]benzenesulfonamide is sourced from PubChem (CID 59177003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).