N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride

C15H23Cl2N3O4S — CID 119971495

IUPACN-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl.Cl
InChIInChI=1S/C15H22ClN3O4S.ClH/c1-23-14-5-4-12(9-13(14)16)24(21,22)19-8-2-3-11(10-19)15(20)18-7-6-17;/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20);1H
InChIKeyVVWNGQBHKOQGLL-UHFFFAOYSA-N
MW412.34 g/mol
LogP1.25
Rot. Bonds6

About N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119971495) has the molecular formula C15H23Cl2N3O4S and a molecular weight of 412.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119971495
Molecular FormulaC15H23Cl2N3O4S
Molecular Weight412.34 g/mol
Exact Mass411.08
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl.Cl
InChIInChI=1S/C15H22ClN3O4S.ClH/c1-23-14-5-4-12(9-13(14)16)24(21,22)19-8-2-3-11(10-19)15(20)18-7-6-17;/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20);1H
InChIKeyVVWNGQBHKOQGLL-UHFFFAOYSA-N
XLogP1.25
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 41302670
N-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3671861
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 41302656
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 3969532
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 4007338
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549955
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100796009
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
(3R)-N-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302674
(3R)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302661

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride (CID 119971495) is N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is VVWNGQBHKOQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S.ClH/c1-23-14-5-4-12(9-13(14)16)24(21,22)19-8-2-3-11(10-19)15(20)18-7-6-17;/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 412.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119971495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).