4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide

C16H18N4O3S — CID 57339813

IUPAC4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c17-24(22,23)15-3-1-14(2-4-15)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2,(H2,17,22,23)
InChIKeyKATCKLCUHQWWCQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.69
Rot. Bonds3

About 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide

4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 57339813) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
PubChem CID57339813
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c17-24(22,23)15-3-1-14(2-4-15)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2,(H2,17,22,23)
InChIKeyKATCKLCUHQWWCQ-UHFFFAOYSA-N
XLogP0.69
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-isonicotinoylbenzenesulfonohydrazide
CID 468603
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
Cnv-2197944
CID 44595848
Sulfonamide deriv., 7h
CID 44520904
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 34999665
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 45560756
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 45561234
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127027737
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
CID 2108328
N-[3-(1-pyrrolidinylsulfonyl)phenyl]isonicotinamide
CID 2963518
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyridine-3-carboxamide
CID 2316496

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide (CID 57339813) is 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is KATCKLCUHQWWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c17-24(22,23)15-3-1-14(2-4-15)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2,(H2,17,22,23).
What are the key properties of 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 57339813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).