2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline

C13H19ClN2O2S — CID 115329743

IUPAC2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyIOBFNGIGZJCGHG-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline

2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline (PubChem CID 115329743) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
PubChem CID115329743
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyIOBFNGIGZJCGHG-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline 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

2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307
2-chloro-5-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47304465
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline (CID 115329743) is 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline is CCC1CCCN(S(=O)(=O)c2ccc(N)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is IOBFNGIGZJCGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8,10H,2-4,7,9,15H2,1H3.
What are the key properties of 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline?
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 302.83 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 115329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).