ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C15H21ClN2O4S — CID 2815500

IUPACethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-3-22-15(19)18-8-6-12(7-9-18)17-23(20,21)13-5-4-11(2)14(16)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyRFSNEYDBFIAPJF-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.55
Rot. Bonds4

About ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 2815500) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID2815500
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Nameethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-3-22-15(19)18-8-6-12(7-9-18)17-23(20,21)13-5-4-11(2)14(16)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyRFSNEYDBFIAPJF-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate 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 ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 2815500) is ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is RFSNEYDBFIAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-3-22-15(19)18-8-6-12(7-9-18)17-23(20,21)13-5-4-11(2)14(16)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 360.86 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chloro-4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2815500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).