N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

C17H20N4O3S — CID 113026209

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C17H20N4O3S/c1-14(22)20-9-11-21(12-10-20)15-7-8-17(18-13-15)19-25(23,24)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,18,19)
InChIKeySHQLKXJRQOTFDV-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.55
Rot. Bonds4

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113026209) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113026209
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C17H20N4O3S/c1-14(22)20-9-11-21(12-10-20)15-7-8-17(18-13-15)19-25(23,24)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,18,19)
InChIKeySHQLKXJRQOTFDV-UHFFFAOYSA-N
XLogP1.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028143
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465998
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
CID 155045949
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzenesulfonamide
CID 113025354

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113026209) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is SHQLKXJRQOTFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-14(22)20-9-11-21(12-10-20)15-7-8-17(18-13-15)19-25(23,24)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,18,19).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113026209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).