4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide

C16H20N4O3S — CID 73349518

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1
InChIInChI=1S/C16H20N4O3S/c1-23-15-5-3-2-4-13(15)19-8-10-20(11-9-19)14-6-7-18-12-16(14)24(17,21)22/h2-7,12H,8-11H2,1H3,(H2,17,21,22)
InChIKeyNKDFYJLFMUNEAW-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.06
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 73349518) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID73349518
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1
InChIInChI=1S/C16H20N4O3S/c1-23-15-5-3-2-4-13(15)19-8-10-20(11-9-19)14-6-7-18-12-16(14)24(17,21)22/h2-7,12H,8-11H2,1H3,(H2,17,21,22)
InChIKeyNKDFYJLFMUNEAW-UHFFFAOYSA-N
XLogP1.06
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
1-(6-Methoxypyridin-3-yl)sulfonyl-4-methylpiperazine
CID 2991320
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
N-Methyl-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 11811066
4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-pyridinium
CID 15227967
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)pyridine-3-sulfonamide
CID 44431617
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-4-methoxypyridine-3-sulfonamide
CID 44431618
4-Methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 771985
Piperazine, 1-(o-methoxyphenyl)-4-(2-(4-pyridyl)ethyl)-
CID 199288
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3236903
2,5-difluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 3237833

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 73349518) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide is COc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is NKDFYJLFMUNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-23-15-5-3-2-4-13(15)19-8-10-20(11-9-19)14-6-7-18-12-16(14)24(17,21)22/h2-7,12H,8-11H2,1H3,(H2,17,21,22).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 73349518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).