3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide

C9H17F2NO3S — CID 134298731

IUPAC3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)(=O)CCC(C)(F)F
InChIInChI=1S/C9H17F2NO3S/c1-3-12-8(13)4-6-16(14,15)7-5-9(2,10)11/h3-7H2,1-2H3,(H,12,13)
InChIKeyFHSREQCWSWSZMV-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.97
Rot. Bonds7

About 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide

3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide (PubChem CID 134298731) has the molecular formula C9H17F2NO3S and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
PubChem CID134298731
Molecular FormulaC9H17F2NO3S
Molecular Weight257.30 g/mol
Exact Mass257.09
IUPAC Name3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)(=O)CCC(C)(F)F
InChIInChI=1S/C9H17F2NO3S/c1-3-12-8(13)4-6-16(14,15)7-5-9(2,10)11/h3-7H2,1-2H3,(H,12,13)
InChIKeyFHSREQCWSWSZMV-UHFFFAOYSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide?
The IUPAC name of 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide (CID 134298731) is 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide?
The canonical SMILES for 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide is CCNC(=O)CCS(=O)(=O)CCC(C)(F)F.
What is the InChIKey of 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide?
The InChIKey is FHSREQCWSWSZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3S/c1-3-12-8(13)4-6-16(14,15)7-5-9(2,10)11/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide?
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide has a molecular weight of 257.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide is sourced from PubChem (CID 134298731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).