4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride

C13H20Cl2N2O3S — CID 120560399

IUPAC4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O3S.ClH/c1-10(15)2-7-13(17)16-8-9-20(18,19)12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H
InChIKeyLHTHPPKGDWAYOH-UHFFFAOYSA-N
MW355.29 g/mol
LogP1.78
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride

4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride (PubChem CID 120560399) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
PubChem CID120560399
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O3S.ClH/c1-10(15)2-7-13(17)16-8-9-20(18,19)12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H
InChIKeyLHTHPPKGDWAYOH-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119290591
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide
CID 119290592
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride (CID 120560399) is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride?
The InChIKey is LHTHPPKGDWAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S.ClH/c1-10(15)2-7-13(17)16-8-9-20(18,19)12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride?
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride has a molecular weight of 355.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).