3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

C16H19ClN4O3S — CID 120763620

IUPAC3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H18N4O3S.ClH/c17-16(21)12-3-1-5-14(9-12)24(22,23)20-8-7-19-11-15(20)13-4-2-6-18-10-13;/h1-6,9-10,15,19H,7-8,11H2,(H2,17,21);1H
InChIKeyQZNBDZGCNGTIGA-UHFFFAOYSA-N
MW382.87 g/mol
LogP0.94
Rot. Bonds4

About 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 120763620) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID120763620
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H18N4O3S.ClH/c17-16(21)12-3-1-5-14(9-12)24(22,23)20-8-7-19-11-15(20)13-4-2-6-18-10-13;/h1-6,9-10,15,19H,7-8,11H2,(H2,17,21);1H
InChIKeyQZNBDZGCNGTIGA-UHFFFAOYSA-N
XLogP0.94
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
CID 120763566
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
methyl 1-methyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyrrole-2-carboxylate;hydrochloride
CID 120764221

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 120763620) is 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(S(=O)(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is QZNBDZGCNGTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S.ClH/c17-16(21)12-3-1-5-14(9-12)24(22,23)20-8-7-19-11-15(20)13-4-2-6-18-10-13;/h1-6,9-10,15,19H,7-8,11H2,(H2,17,21);1H.
What are the key properties of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120763620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).