1,3-difluoroprop-2-ene-1-sulfonamide

C3H5F2NO2S — CID 175549224

IUPAC1,3-difluoroprop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C(F)C=CF
InChIInChI=1S/C3H5F2NO2S/c4-2-1-3(5)9(6,7)8/h1-3H,(H2,6,7,8)
InChIKeySRXNZSCEPBDPFV-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.05
Rot. Bonds2

About 1,3-difluoroprop-2-ene-1-sulfonamide

1,3-difluoroprop-2-ene-1-sulfonamide (PubChem CID 175549224) has the molecular formula C3H5F2NO2S and a molecular weight of 157.14 g/mol. Its IUPAC name is 1,3-difluoroprop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1,3-difluoroprop-2-ene-1-sulfonamide
PubChem CID175549224
Molecular FormulaC3H5F2NO2S
Molecular Weight157.14 g/mol
Exact Mass157.00
IUPAC Name1,3-difluoroprop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C(F)C=CF
InChIInChI=1S/C3H5F2NO2S/c4-2-1-3(5)9(6,7)8/h1-3H,(H2,6,7,8)
InChIKeySRXNZSCEPBDPFV-UHFFFAOYSA-N
XLogP0.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-2-ene-1-sulfonamide?
The IUPAC name of 1,3-difluoroprop-2-ene-1-sulfonamide (CID 175549224) is 1,3-difluoroprop-2-ene-1-sulfonamide.
What is the SMILES notation for 1,3-difluoroprop-2-ene-1-sulfonamide?
The canonical SMILES for 1,3-difluoroprop-2-ene-1-sulfonamide is NS(=O)(=O)C(F)C=CF.
What is the InChIKey of 1,3-difluoroprop-2-ene-1-sulfonamide?
The InChIKey is SRXNZSCEPBDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO2S/c4-2-1-3(5)9(6,7)8/h1-3H,(H2,6,7,8).
What are the key properties of 1,3-difluoroprop-2-ene-1-sulfonamide?
1,3-difluoroprop-2-ene-1-sulfonamide has a molecular weight of 157.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-2-ene-1-sulfonamide is sourced from PubChem (CID 175549224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).