3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide

C14H13ClFNO3S — CID 889995

IUPAC3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2H2,1H3
InChIKeyHZIXYNJKYGCTDB-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.68
Rot. Bonds5

About 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide

3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 889995) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID889995
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2H2,1H3
InChIKeyHZIXYNJKYGCTDB-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3-chloro-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-fluorobenzenesulfonamide
CID 5000709
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35940805
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide (CID 889995) is 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is HZIXYNJKYGCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2H2,1H3.
What are the key properties of 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide?
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).