4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide

C21H17F3N2O3S — CID 27256677

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H17F3N2O3S/c22-16-5-1-14(2-6-16)11-12-25-21(27)15-3-7-17(8-4-15)26-30(28,29)18-9-10-19(23)20(24)13-18/h1-10,13,26H,11-12H2,(H,25,27)
InChIKeyQKKBNQJTJPBEMJ-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.88
Rot. Bonds7

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 27256677) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID27256677
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H17F3N2O3S/c22-16-5-1-14(2-6-16)11-12-25-21(27)15-3-7-17(8-4-15)26-30(28,29)18-9-10-19(23)20(24)13-18/h1-10,13,26H,11-12H2,(H,25,27)
InChIKeyQKKBNQJTJPBEMJ-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 16960874
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
N-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46807280
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
(4-fluorophenyl)methyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036611
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946421
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 27256677) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is QKKBNQJTJPBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-16-5-1-14(2-6-16)11-12-25-21(27)15-3-7-17(8-4-15)26-30(28,29)18-9-10-19(23)20(24)13-18/h1-10,13,26H,11-12H2,(H,25,27).
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 27256677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).