N-benzhydryl-1,1,1-trifluoromethanesulfonamide

C14H12F3NO2S — CID 134948677

IUPACN-benzhydryl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)21(19,20)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyHOJVKSAUEKDZEP-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.22
Rot. Bonds4

About N-benzhydryl-1,1,1-trifluoromethanesulfonamide

N-benzhydryl-1,1,1-trifluoromethanesulfonamide (PubChem CID 134948677) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-benzhydryl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-1,1,1-trifluoromethanesulfonamide
PubChem CID134948677
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-benzhydryl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)21(19,20)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyHOJVKSAUEKDZEP-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
CID 109962
Benzyl(Benzylsulfamoyl)Amine
CID 1488548
N-(1-Phenylethyl)methanesulfonamide
CID 380740
(Benzylsulfamoyl)((2-fluorophenyl)methyl)amine
CID 1475421
N-(1-Phenylethyl)benzenesulfonamide
CID 99969
N-benzylmethanesulfonamide
CID 235490
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-
CID 170860
4-Fluoro-alpha-(4-fluorophenyl)benzenemethanamine
CID 10955039
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
CID 109963
1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(phenylmethyl)-
CID 109964
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(phenylmethyl)-
CID 109965
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-benzhydryl-1,1,1-trifluoromethanesulfonamide (CID 134948677) is N-benzhydryl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-benzhydryl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-benzhydryl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzhydryl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is HOJVKSAUEKDZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)21(19,20)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H.
What are the key properties of N-benzhydryl-1,1,1-trifluoromethanesulfonamide?
N-benzhydryl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 134948677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).