N-benzhydryl-4-(difluoromethylsulfonyl)benzamide

C21H17F2NO3S — CID 2713421

IUPACN-benzhydryl-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C21H17F2NO3S/c22-21(23)28(26,27)18-13-11-17(12-14-18)20(25)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,24,25)
InChIKeyZQMVVNOAUKJLQP-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.20
Rot. Bonds6

About N-benzhydryl-4-(difluoromethylsulfonyl)benzamide

N-benzhydryl-4-(difluoromethylsulfonyl)benzamide (PubChem CID 2713421) has the molecular formula C21H17F2NO3S and a molecular weight of 401.43 g/mol. Its IUPAC name is N-benzhydryl-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-(difluoromethylsulfonyl)benzamide
PubChem CID2713421
Molecular FormulaC21H17F2NO3S
Molecular Weight401.43 g/mol
Exact Mass401.09
IUPAC NameN-benzhydryl-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C21H17F2NO3S/c22-21(23)28(26,27)18-13-11-17(12-14-18)20(25)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,24,25)
InChIKeyZQMVVNOAUKJLQP-UHFFFAOYSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
CID 9953268
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benzamide
CID 16725330
Piperidine Derivative 3m
CID 14096766
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(4-methanesulfonylphenyl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648308
4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide
CID 44475367

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-benzhydryl-4-(difluoromethylsulfonyl)benzamide (CID 2713421) is N-benzhydryl-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-benzhydryl-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-benzhydryl-4-(difluoromethylsulfonyl)benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-benzhydryl-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is ZQMVVNOAUKJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3S/c22-21(23)28(26,27)18-13-11-17(12-14-18)20(25)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,24,25).
What are the key properties of N-benzhydryl-4-(difluoromethylsulfonyl)benzamide?
N-benzhydryl-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 401.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 2713421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).