3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C17H15F5N2O3S — CID 25403138

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F5N2O3S/c18-14-6-5-13(9-15(14)19)28(26,27)24-8-7-16(25)23-10-11-1-3-12(4-2-11)17(20,21)22/h1-6,9,24H,7-8,10H2,(H,23,25)
InChIKeyHDQBNSHUEMHEIN-UHFFFAOYSA-N
MW422.38 g/mol
LogP2.97
Rot. Bonds7

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 25403138) has the molecular formula C17H15F5N2O3S and a molecular weight of 422.38 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID25403138
Molecular FormulaC17H15F5N2O3S
Molecular Weight422.38 g/mol
Exact Mass422.07
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F5N2O3S/c18-14-6-5-13(9-15(14)19)28(26,27)24-8-7-16(25)23-10-11-1-3-12(4-2-11)17(20,21)22/h1-6,9,24H,7-8,10H2,(H,23,25)
InChIKeyHDQBNSHUEMHEIN-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86866305

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 25403138) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is HDQBNSHUEMHEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O3S/c18-14-6-5-13(9-15(14)19)28(26,27)24-8-7-16(25)23-10-11-1-3-12(4-2-11)17(20,21)22/h1-6,9,24H,7-8,10H2,(H,23,25).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 422.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 25403138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).