N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride

C19H25ClN4O3S — CID 120731577

IUPACN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-2-11-27(25,26)22-17-7-3-5-15(12-17)19(24)23-10-9-21-14-18(23)16-6-4-8-20-13-16;/h3-8,12-13,18,21-22H,2,9-11,14H2,1H3;1H
InChIKeyJJTHFTSOWAYJCA-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.44
Rot. Bonds6

About N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride (PubChem CID 120731577) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
PubChem CID120731577
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-2-11-27(25,26)22-17-7-3-5-15(12-17)19(24)23-10-9-21-14-18(23)16-6-4-8-20-13-16;/h3-8,12-13,18,21-22H,2,9-11,14H2,1H3;1H
InChIKeyJJTHFTSOWAYJCA-UHFFFAOYSA-N
XLogP2.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120729692
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride (CID 120731577) is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl.
What is the InChIKey of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The InChIKey is JJTHFTSOWAYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-2-11-27(25,26)22-17-7-3-5-15(12-17)19(24)23-10-9-21-14-18(23)16-6-4-8-20-13-16;/h3-8,12-13,18,21-22H,2,9-11,14H2,1H3;1H.
What are the key properties of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120731577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).