N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide

C20H16F3NO2S — CID 2568637

IUPACN-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)17-13-7-8-14-18(17)27(25,26)24-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,24H
InChIKeyMRXICSPKKWJCSR-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.77
Rot. Bonds5

About N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide

N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2568637) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2568637
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC NameN-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)17-13-7-8-14-18(17)27(25,26)24-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,24H
InChIKeyMRXICSPKKWJCSR-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 71685070
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43021402
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828701
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43001318
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(5-bromopentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 114294910
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
3-hydroxy-2-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 167825235
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide (CID 2568637) is N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MRXICSPKKWJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c21-20(22,23)17-13-7-8-14-18(17)27(25,26)24-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,24H.
What are the key properties of N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide?
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).