2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

C10H15ClN4O2S — CID 83013823

IUPAC2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-14-5-7-15(8-6-14)13-18(16,17)9-3-2-4-12-10(9)11/h2-4,13H,5-8H2,1H3
InChIKeyJBTFNVCDANQMHF-UHFFFAOYSA-N
MW290.78 g/mol
LogP0.18
Rot. Bonds3

About 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 83013823) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID83013823
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-14-5-7-15(8-6-14)13-18(16,17)9-3-2-4-12-10(9)11/h2-4,13H,5-8H2,1H3
InChIKeyJBTFNVCDANQMHF-UHFFFAOYSA-N
XLogP0.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (CID 83013823) is 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is CN1CCN(NS(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is JBTFNVCDANQMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-14-5-7-15(8-6-14)13-18(16,17)9-3-2-4-12-10(9)11/h2-4,13H,5-8H2,1H3.
What are the key properties of 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 290.78 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 83013823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).