3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine

C13H17ClFNO3S — CID 64673946

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO3S/c1-2-16-12-5-6-19-8-13(12)20(17,18)9-3-4-11(15)10(14)7-9/h3-4,7,12-13,16H,2,5-6,8H2,1H3
InChIKeyYIJANIVFGXWEOL-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.02
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine (PubChem CID 64673946) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine
PubChem CID64673946
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO3S/c1-2-16-12-5-6-19-8-13(12)20(17,18)9-3-4-11(15)10(14)7-9/h3-4,7,12-13,16H,2,5-6,8H2,1H3
InChIKeyYIJANIVFGXWEOL-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine 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

(3R4S)-3-(4-Chlorobenzenesulfonyl)-4-[(3-methoxypropyl)amino]-1lambda6-thiolane-11-dione
CID 20898034
(2S)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 93619396
2-(3-chloro-4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 45826007
3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
CID 64638626
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
CID 64640211
3-(2,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine
CID 64644463
N-ethyl-3-(2-fluorophenyl)sulfonyloxan-4-amine
CID 64644554
3-(2-fluorophenyl)sulfonyl-N-methyloxan-4-amine
CID 64644557
3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine
CID 64645068
3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine
CID 64645341
3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine
CID 64645449

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine (CID 64673946) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine is CCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The InChIKey is YIJANIVFGXWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-2-16-12-5-6-19-8-13(12)20(17,18)9-3-4-11(15)10(14)7-9/h3-4,7,12-13,16H,2,5-6,8H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine has a molecular weight of 321.80 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyloxan-4-amine is sourced from PubChem (CID 64673946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).