N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide

C13H19ClN4O3S — CID 55697943

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H19ClN4O3S/c1-11(19)18-8-6-17(7-9-18)5-4-16-22(20,21)12-2-3-13(14)15-10-12/h2-3,10,16H,4-9H2,1H3
InChIKeyXRWMDXVRXBVVIS-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.18
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide (PubChem CID 55697943) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
PubChem CID55697943
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H19ClN4O3S/c1-11(19)18-8-6-17(7-9-18)5-4-16-22(20,21)12-2-3-13(14)15-10-12/h2-3,10,16H,4-9H2,1H3
InChIKeyXRWMDXVRXBVVIS-UHFFFAOYSA-N
XLogP0.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55698162
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163440
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120704399
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 78878041
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide (CID 55697943) is N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide is CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide?
The InChIKey is XRWMDXVRXBVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3S/c1-11(19)18-8-6-17(7-9-18)5-4-16-22(20,21)12-2-3-13(14)15-10-12/h2-3,10,16H,4-9H2,1H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide has a molecular weight of 346.84 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 55697943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).