N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C27H21F3N2O3S — CID 2333973

IUPACN-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N2O3S/c28-27(29,30)21-14-9-15-22(18-21)36(34,35)32-24-17-8-7-16-23(24)26(33)31-25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-18,25,32H,(H,31,33)
InChIKeyZHYQAIJRMAKAIV-UHFFFAOYSA-N
MW510.54 g/mol
LogP6.03
Rot. Bonds7

About N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 2333973) has the molecular formula C27H21F3N2O3S and a molecular weight of 510.54 g/mol. Its IUPAC name is N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID2333973
Molecular FormulaC27H21F3N2O3S
Molecular Weight510.54 g/mol
Exact Mass510.12
IUPAC NameN-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N2O3S/c28-27(29,30)21-14-9-15-22(18-21)36(34,35)32-24-17-8-7-16-23(24)26(33)31-25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-18,25,32H,(H,31,33)
InChIKeyZHYQAIJRMAKAIV-UHFFFAOYSA-N
XLogP6.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 55621279
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5036401

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 2333973) is N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is ZHYQAIJRMAKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O3S/c28-27(29,30)21-14-9-15-22(18-21)36(34,35)32-24-17-8-7-16-23(24)26(33)31-25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-18,25,32H,(H,31,33).
What are the key properties of N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 510.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 2333973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).