2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide

C15H18N4O2S — CID 86818361

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)14-6-2-1-5-13(14)18-9-11-19(12-10-18)15-7-3-4-8-17-15/h1-8H,9-12H2,(H2,16,20,21)
InChIKeyOGWJOTIRTCWEFK-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.06
Rot. Bonds3

About 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide

2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide (PubChem CID 86818361) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
PubChem CID86818361
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)14-6-2-1-5-13(14)18-9-11-19(12-10-18)15-7-3-4-8-17-15/h1-8H,9-12H2,(H2,16,20,21)
InChIKeyOGWJOTIRTCWEFK-UHFFFAOYSA-N
XLogP1.06
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfonyl-2-nitrophenyl)-4-pyridin-2-ylpiperazine
CID 133393005
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
2-chloro-6-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 29053148
[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 114879434
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide (CID 86818361) is 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is OGWJOTIRTCWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-22(20,21)14-6-2-1-5-13(14)18-9-11-19(12-10-18)15-7-3-4-8-17-15/h1-8H,9-12H2,(H2,16,20,21).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide?
2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 86818361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).