[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite

C5H10F3NO4S2 — CID 20705425

IUPAC[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H10F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13-8)5(6)7/h5H,2-4H2,1H3
InChIKeyMTAASOWSCBFAFE-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.62
Rot. Bonds6

About [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite

[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite (PubChem CID 20705425) has the molecular formula C5H10F3NO4S2 and a molecular weight of 269.27 g/mol. Its IUPAC name is [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
PubChem CID20705425
Molecular FormulaC5H10F3NO4S2
Molecular Weight269.27 g/mol
Exact Mass269.00
IUPAC Name[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H10F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13-8)5(6)7/h5H,2-4H2,1H3
InChIKeyMTAASOWSCBFAFE-UHFFFAOYSA-N
XLogP1.62
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite (CID 20705425) is [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite is CCCCS(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The InChIKey is MTAASOWSCBFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13-8)5(6)7/h5H,2-4H2,1H3.
What are the key properties of [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite has a molecular weight of 269.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).