3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C14H12ClF2NO2S — CID 28534252

IUPAC3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-14(17)13(15)9-12/h3-9H,2H2,1H3
InChIKeyNVGBWHSGIUKCFF-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.83
Rot. Bonds4

About 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 28534252) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID28534252
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC Name3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-14(17)13(15)9-12/h3-9H,2H2,1H3
InChIKeyNVGBWHSGIUKCFF-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide 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-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 34043521
methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate
CID 69234078
N-ethyl-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
CID 165069778
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 28534252) is 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is NVGBWHSGIUKCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-14(17)13(15)9-12/h3-9H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 28534252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).