3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide

C19H19ClFNO3S — CID 145406607

IUPAC3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCC=C2c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H19ClFNO3S/c20-18-11-16(26(22,23)24)9-10-19(18)25-12-14-3-1-2-4-17(14)13-5-7-15(21)8-6-13/h4-11,14H,1-3,12H2,(H2,22,23,24)
InChIKeyWXBGJRQWHQTJRL-UHFFFAOYSA-N
MW395.88 g/mol
LogP4.39
Rot. Bonds5

About 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide

3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide (PubChem CID 145406607) has the molecular formula C19H19ClFNO3S and a molecular weight of 395.88 g/mol. Its IUPAC name is 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide
PubChem CID145406607
Molecular FormulaC19H19ClFNO3S
Molecular Weight395.88 g/mol
Exact Mass395.08
IUPAC Name3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCC=C2c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H19ClFNO3S/c20-18-11-16(26(22,23)24)9-10-19(18)25-12-14-3-1-2-4-17(14)13-5-7-15(21)8-6-13/h4-11,14H,1-3,12H2,(H2,22,23,24)
InChIKeyWXBGJRQWHQTJRL-UHFFFAOYSA-N
XLogP4.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide 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 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide (CID 145406607) is 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCC2CCCC=C2c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide?
The InChIKey is WXBGJRQWHQTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3S/c20-18-11-16(26(22,23)24)9-10-19(18)25-12-14-3-1-2-4-17(14)13-5-7-15(21)8-6-13/h4-11,14H,1-3,12H2,(H2,22,23,24).
What are the key properties of 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide?
3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide has a molecular weight of 395.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 145406607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).