4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H17ClN4O3S — CID 33006202

IUPAC4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C12H17ClN4O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)12(18)10-4-3-5-14-11(10)13/h3-5H,6-9H2,1-2H3
InChIKeyHEVLYFGUNKAHCU-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.30
Rot. Bonds3

About 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 33006202) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID33006202
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C12H17ClN4O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)12(18)10-4-3-5-14-11(10)13/h3-5H,6-9H2,1-2H3
InChIKeyHEVLYFGUNKAHCU-UHFFFAOYSA-N
XLogP0.30
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 33006202) is 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is HEVLYFGUNKAHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)12(18)10-4-3-5-14-11(10)13/h3-5H,6-9H2,1-2H3.
What are the key properties of 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 33006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).