N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide

C7H9F2NO2S — CID 122642776

IUPACN-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1C=C(F)C=C(F)C1
InChIInChI=1S/C7H9F2NO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-3,7,10H,4H2,1H3/t7-/m0/s1
InChIKeyLLEBBIIDWRYDSZ-ZETCQYMHSA-N
MW209.22 g/mol
LogP1.01
Rot. Bonds2

About N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide

N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide (PubChem CID 122642776) has the molecular formula C7H9F2NO2S and a molecular weight of 209.22 g/mol. Its IUPAC name is N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide
PubChem CID122642776
Molecular FormulaC7H9F2NO2S
Molecular Weight209.22 g/mol
Exact Mass209.03
IUPAC NameN-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1C=C(F)C=C(F)C1
InChIInChI=1S/C7H9F2NO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-3,7,10H,4H2,1H3/t7-/m0/s1
InChIKeyLLEBBIIDWRYDSZ-ZETCQYMHSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide 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-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide (CID 122642776) is N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1C=C(F)C=C(F)C1.
What is the InChIKey of N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide?
The InChIKey is LLEBBIIDWRYDSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9F2NO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-3,7,10H,4H2,1H3/t7-/m0/s1.
What are the key properties of N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide?
N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide has a molecular weight of 209.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide is sourced from PubChem (CID 122642776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).