2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

C21H18F2N2O3S — CID 8002055

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C21H18F2N2O3S/c1-14(15-7-3-2-4-8-15)24-21(26)17-9-5-6-10-20(17)25-29(27,28)16-11-12-18(22)19(23)13-16/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyWCDWVNCDIQBHTK-CQSZACIVSA-N
MW416.45 g/mol
LogP4.26
Rot. Bonds6

About 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 8002055) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID8002055
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C21H18F2N2O3S/c1-14(15-7-3-2-4-8-15)24-21(26)17-9-5-6-10-20(17)25-29(27,28)16-11-12-18(22)19(23)13-16/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyWCDWVNCDIQBHTK-CQSZACIVSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 30713520
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25039219
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (CID 8002055) is 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is WCDWVNCDIQBHTK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-14(15-7-3-2-4-8-15)24-21(26)17-9-5-6-10-20(17)25-29(27,28)16-11-12-18(22)19(23)13-16/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 8002055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).