N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C19H23ClN4O3S — CID 120729692

IUPACN-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H22N4O3S.ClH/c1-2-8-22-27(25,26)17-7-3-5-15(12-17)19(24)23-11-10-21-14-18(23)16-6-4-9-20-13-16;/h2-7,9,12-13,18,21-22H,1,8,10-11,14H2;1H
InChIKeyHXQMURCADSTXGP-UHFFFAOYSA-N
MW422.94 g/mol
LogP1.75
Rot. Bonds6

About N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 120729692) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID120729692
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H22N4O3S.ClH/c1-2-8-22-27(25,26)17-7-3-5-15(12-17)19(24)23-11-10-21-14-18(23)16-6-4-9-20-13-16;/h2-7,9,12-13,18,21-22H,1,8,10-11,14H2;1H
InChIKeyHXQMURCADSTXGP-UHFFFAOYSA-N
XLogP1.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119400111
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729059
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729626
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 120729692) is N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl.
What is the InChIKey of N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is HXQMURCADSTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S.ClH/c1-2-8-22-27(25,26)17-7-3-5-15(12-17)19(24)23-11-10-21-14-18(23)16-6-4-9-20-13-16;/h2-7,9,12-13,18,21-22H,1,8,10-11,14H2;1H.
What are the key properties of N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 422.94 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120729692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).