[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite

C17H35F3N2O4S2 — CID 20705423

IUPAC[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C17H35F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(24,25)21-27(23,26-20)17(18)19/h15-17H,5-14H2,1-4H3
InChIKeyRJTCWEIKFBHQSY-UHFFFAOYSA-N
MW452.61 g/mol
LogP5.47
Rot. Bonds16

About [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite

[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite (PubChem CID 20705423) has the molecular formula C17H35F3N2O4S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
PubChem CID20705423
Molecular FormulaC17H35F3N2O4S2
Molecular Weight452.61 g/mol
Exact Mass452.20
IUPAC Name[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C17H35F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(24,25)21-27(23,26-20)17(18)19/h15-17H,5-14H2,1-4H3
InChIKeyRJTCWEIKFBHQSY-UHFFFAOYSA-N
XLogP5.47
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite (CID 20705423) is [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The InChIKey is RJTCWEIKFBHQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(24,25)21-27(23,26-20)17(18)19/h15-17H,5-14H2,1-4H3.
What are the key properties of [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite has a molecular weight of 452.61 g/mol, XLogP of 5.47, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).