[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate

C10H14FNO3S — CID 24761691

IUPAC[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate
SMILESCC(C)Cc1cc(F)ccc1OS(N)(=O)=O
InChIInChI=1S/C10H14FNO3S/c1-7(2)5-8-6-9(11)3-4-10(8)15-16(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14)
InChIKeyUVZJTVYBMYCSLE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.61
Rot. Bonds4

About [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate

[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate (PubChem CID 24761691) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate
PubChem CID24761691
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate
SMILESCC(C)Cc1cc(F)ccc1OS(N)(=O)=O
InChIInChI=1S/C10H14FNO3S/c1-7(2)5-8-6-9(11)3-4-10(8)15-16(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14)
InChIKeyUVZJTVYBMYCSLE-UHFFFAOYSA-N
XLogP1.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate 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 [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate?
The IUPAC name of [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate (CID 24761691) is [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate.
What is the SMILES notation for [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate?
The canonical SMILES for [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate is CC(C)Cc1cc(F)ccc1OS(N)(=O)=O.
What is the InChIKey of [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate?
The InChIKey is UVZJTVYBMYCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-7(2)5-8-6-9(11)3-4-10(8)15-16(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14).
What are the key properties of [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate?
[4-fluoro-2-(2-methylpropyl)phenyl] sulfamate has a molecular weight of 247.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2-methylpropyl)phenyl] sulfamate is sourced from PubChem (CID 24761691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).