N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

C14H14FNO4S — CID 4081068

IUPACN-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-7-8-13(20-2)14(9-12)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,1-2H3
InChIKeyCYZHSUYSJMKOIZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds5

About N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 4081068) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID4081068
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-7-8-13(20-2)14(9-12)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,1-2H3
InChIKeyCYZHSUYSJMKOIZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide 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 N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 4081068) is N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is CYZHSUYSJMKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-19-12-7-8-13(20-2)14(9-12)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 4081068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).