2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide

C14H19ClFNO3S — CID 75444520

IUPAC2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide
SMILESCOC1C(C)C(NS(=O)(=O)c2cc(F)ccc2Cl)C1(C)C
InChIInChI=1S/C14H19ClFNO3S/c1-8-12(14(2,3)13(8)20-4)17-21(18,19)11-7-9(16)5-6-10(11)15/h5-8,12-13,17H,1-4H3
InChIKeyQRSGAVVIXFULFX-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide

2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide (PubChem CID 75444520) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide
PubChem CID75444520
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide
SMILESCOC1C(C)C(NS(=O)(=O)c2cc(F)ccc2Cl)C1(C)C
InChIInChI=1S/C14H19ClFNO3S/c1-8-12(14(2,3)13(8)20-4)17-21(18,19)11-7-9(16)5-6-10(11)15/h5-8,12-13,17H,1-4H3
InChIKeyQRSGAVVIXFULFX-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)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 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide (CID 75444520) is 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide is COC1C(C)C(NS(=O)(=O)c2cc(F)ccc2Cl)C1(C)C.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide?
The InChIKey is QRSGAVVIXFULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-8-12(14(2,3)13(8)20-4)17-21(18,19)11-7-9(16)5-6-10(11)15/h5-8,12-13,17H,1-4H3.
What are the key properties of 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide has a molecular weight of 335.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 75444520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).