N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide

C23H19F3N2O3S — CID 26426471

IUPACN-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H19F3N2O3S/c24-17-5-1-15(2-6-17)14-28(19-9-10-19)23(29)16-3-7-18(8-4-16)27-32(30,31)20-11-12-21(25)22(26)13-20/h1-8,11-13,19,27H,9-10,14H2
InChIKeyCTLWTLCGBJFSOP-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.71
Rot. Bonds7

About N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide

N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 26426471) has the molecular formula C23H19F3N2O3S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID26426471
Molecular FormulaC23H19F3N2O3S
Molecular Weight460.48 g/mol
Exact Mass460.11
IUPAC NameN-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H19F3N2O3S/c24-17-5-1-15(2-6-17)14-28(19-9-10-19)23(29)16-3-7-18(8-4-16)27-32(30,31)20-11-12-21(25)22(26)13-20/h1-8,11-13,19,27H,9-10,14H2
InChIKeyCTLWTLCGBJFSOP-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
4-[(3,4-difluorophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619602
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
(4-fluorophenyl)methyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036611
4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 38371513
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 52547897
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
3,4-difluoro-N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 25335648

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide (CID 26426471) is N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is CTLWTLCGBJFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S/c24-17-5-1-15(2-6-17)14-28(19-9-10-19)23(29)16-3-7-18(8-4-16)27-32(30,31)20-11-12-21(25)22(26)13-20/h1-8,11-13,19,27H,9-10,14H2.
What are the key properties of N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 460.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 26426471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).