N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide

C10H16FNO2S — CID 146209353

IUPACN-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1=CC=C(S(=O)(=O)NCCF)CC1C
InChIInChI=1S/C10H16FNO2S/c1-8-3-4-10(7-9(8)2)15(13,14)12-6-5-11/h3-4,9,12H,5-7H2,1-2H3
InChIKeyGVGGZJTWUVWYPD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds4

About N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide

N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 146209353) has the molecular formula C10H16FNO2S and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID146209353
Molecular FormulaC10H16FNO2S
Molecular Weight233.31 g/mol
Exact Mass233.09
IUPAC NameN-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1=CC=C(S(=O)(=O)NCCF)CC1C
InChIInChI=1S/C10H16FNO2S/c1-8-3-4-10(7-9(8)2)15(13,14)12-6-5-11/h3-4,9,12H,5-7H2,1-2H3
InChIKeyGVGGZJTWUVWYPD-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide (CID 146209353) is N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide is CC1=CC=C(S(=O)(=O)NCCF)CC1C.
What is the InChIKey of N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is GVGGZJTWUVWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2S/c1-8-3-4-10(7-9(8)2)15(13,14)12-6-5-11/h3-4,9,12H,5-7H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 146209353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).