N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C16H13F5N2O3S — CID 24639452

IUPACN-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F5N2O3S/c17-11-4-5-14(13(18)9-11)23-15(24)6-7-22-27(25,26)12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyJHUGRIUAEMWHLH-UHFFFAOYSA-N
MW408.35 g/mol
LogP3.29
Rot. Bonds6

About N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 24639452) has the molecular formula C16H13F5N2O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID24639452
Molecular FormulaC16H13F5N2O3S
Molecular Weight408.35 g/mol
Exact Mass408.06
IUPAC NameN-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F5N2O3S/c17-11-4-5-14(13(18)9-11)23-15(24)6-7-22-27(25,26)12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyJHUGRIUAEMWHLH-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
CID 46253964
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332
[2-(2-acetylanilino)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2601036

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 24639452) is N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is JHUGRIUAEMWHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O3S/c17-11-4-5-14(13(18)9-11)23-15(24)6-7-22-27(25,26)12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9,22H,6-7H2,(H,23,24).
What are the key properties of N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 408.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24639452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).