N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide

C9H15F2NO2S — CID 66802746

IUPACN-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC=C(F)CC1F
InChIInChI=1S/C9H15F2NO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3,8-9,12H,2,4-6H2,1H3
InChIKeyZMGNVFAWYOQECK-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.67
Rot. Bonds4

About N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide

N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide (PubChem CID 66802746) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide
PubChem CID66802746
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC=C(F)CC1F
InChIInChI=1S/C9H15F2NO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3,8-9,12H,2,4-6H2,1H3
InChIKeyZMGNVFAWYOQECK-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide?
The IUPAC name of N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide (CID 66802746) is N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CC=C(F)CC1F.
What is the InChIKey of N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide?
The InChIKey is ZMGNVFAWYOQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3,8-9,12H,2,4-6H2,1H3.
What are the key properties of N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide?
N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide has a molecular weight of 239.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 66802746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).