4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide

C16H15F2NO3S — CID 41273162

IUPAC4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-23(21,22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyJHBPLNMPYQHOIW-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.16
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide

4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide (PubChem CID 41273162) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
PubChem CID41273162
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-23(21,22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyJHBPLNMPYQHOIW-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
N-(2,4-difluorophenyl)hexanamide
CID 3484261
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
CID 135365962
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
CID 41273157
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 18585984

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide (CID 41273162) is 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide is O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide?
The InChIKey is JHBPLNMPYQHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-23(21,22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20).
What are the key properties of 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide?
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide has a molecular weight of 339.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 41273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).