4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C14H20FNO3S — CID 71686923

IUPAC4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C)CCOCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-9-12(3-4-13(11)15)20(17,18)16-10-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyZGSHBUHFNGQJTN-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.23
Rot. Bonds4

About 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686923) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686923
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C)CCOCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-9-12(3-4-13(11)15)20(17,18)16-10-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyZGSHBUHFNGQJTN-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]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 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686923) is 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2(C)CCOCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZGSHBUHFNGQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-9-12(3-4-13(11)15)20(17,18)16-10-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).