3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride

C14H20ClN3O3S — CID 119400111

IUPAC3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H19N3O3S.ClH/c1-2-6-16-21(19,20)13-5-3-4-12(11-13)14(18)17-9-7-15-8-10-17;/h2-5,11,15-16H,1,6-10H2;1H
InChIKeyOICKYKWZSDCQOV-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.62
Rot. Bonds5

About 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride

3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride (PubChem CID 119400111) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
PubChem CID119400111
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H19N3O3S.ClH/c1-2-6-16-21(19,20)13-5-3-4-12(11-13)14(18)17-9-7-15-8-10-17;/h2-5,11,15-16H,1,6-10H2;1H
InChIKeyOICKYKWZSDCQOV-UHFFFAOYSA-N
XLogP0.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120996857
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55645949
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 24552318
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55376240
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 133107997
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219
N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120729692

Frequently Asked Questions

What is the IUPAC name of 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride (CID 119400111) is 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride?
The InChIKey is OICKYKWZSDCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S.ClH/c1-2-6-16-21(19,20)13-5-3-4-12(11-13)14(18)17-9-7-15-8-10-17;/h2-5,11,15-16H,1,6-10H2;1H.
What are the key properties of 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride?
3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119400111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).