3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide

C16H15F2NO3S — CID 7354611

IUPAC3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO3S/c17-13-8-14(18)10-15(9-13)19-16(20)6-7-23(21,22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyPVEQDNPQCSOBGV-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.91
Rot. Bonds6

About 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide

3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide (PubChem CID 7354611) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide
PubChem CID7354611
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO3S/c17-13-8-14(18)10-15(9-13)19-16(20)6-7-23(21,22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyPVEQDNPQCSOBGV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
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CID 17312270
3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
3-benzylsulfonyl-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17204081
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide?
The IUPAC name of 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide (CID 7354611) is 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide?
The InChIKey is PVEQDNPQCSOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-8-14(18)10-15(9-13)19-16(20)6-7-23(21,22)11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20).
What are the key properties of 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide?
3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide has a molecular weight of 339.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 7354611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).