N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide

C14H19Cl2N3O3S — CID 119971159

IUPACN-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H19Cl2N3O3S/c15-11-4-1-5-12(16)13(11)23(21,22)19-8-2-3-10(9-19)14(20)18-7-6-17/h1,4-5,10H,2-3,6-9,17H2,(H,18,20)
InChIKeyONXZOKJYTLEPFU-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.47
Rot. Bonds5

About N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119971159) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119971159
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC NameN-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H19Cl2N3O3S/c15-11-4-1-5-12(16)13(11)23(21,22)19-8-2-3-10(9-19)14(20)18-7-6-17/h1,4-5,10H,2-3,6-9,17H2,(H,18,20)
InChIKeyONXZOKJYTLEPFU-UHFFFAOYSA-N
XLogP1.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxamide
CID 119971059
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971498
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide (CID 119971159) is N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide is NCCNC(=O)C1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ONXZOKJYTLEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c15-11-4-1-5-12(16)13(11)23(21,22)19-8-2-3-10(9-19)14(20)18-7-6-17/h1,4-5,10H,2-3,6-9,17H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119971159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).