4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

C8H12FNO2S — CID 123417701

IUPAC4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCC(F)C=C1
InChIInChI=1S/C8H12FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3,5-7H,4H2,1-2H3
InChIKeyMUWCHRROKCBTRG-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.06
Rot. Bonds2

About 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 123417701) has the molecular formula C8H12FNO2S and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID123417701
Molecular FormulaC8H12FNO2S
Molecular Weight205.25 g/mol
Exact Mass205.06
IUPAC Name4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCC(F)C=C1
InChIInChI=1S/C8H12FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3,5-7H,4H2,1-2H3
InChIKeyMUWCHRROKCBTRG-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (CID 123417701) is 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is CN(C)S(=O)(=O)C1=CCC(F)C=C1.
What is the InChIKey of 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is MUWCHRROKCBTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3,5-7H,4H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 205.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 123417701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).