2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide

C11H13ClN6O2S — CID 114387378

IUPAC2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cnc(Cl)nc2)nc1CC
InChIInChI=1S/C11H13ClN6O2S/c1-3-8-9(4-2)16-17-11(15-8)18-21(19,20)7-5-13-10(12)14-6-7/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyWSCGJRRLHRRASL-UHFFFAOYSA-N
MW328.79 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide

2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide (PubChem CID 114387378) has the molecular formula C11H13ClN6O2S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
PubChem CID114387378
Molecular FormulaC11H13ClN6O2S
Molecular Weight328.79 g/mol
Exact Mass328.05
IUPAC Name2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cnc(Cl)nc2)nc1CC
InChIInChI=1S/C11H13ClN6O2S/c1-3-8-9(4-2)16-17-11(15-8)18-21(19,20)7-5-13-10(12)14-6-7/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyWSCGJRRLHRRASL-UHFFFAOYSA-N
XLogP1.24
TPSA110.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide (CID 114387378) is 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide is CCc1nnc(NS(=O)(=O)c2cnc(Cl)nc2)nc1CC.
What is the InChIKey of 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is WSCGJRRLHRRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2S/c1-3-8-9(4-2)16-17-11(15-8)18-21(19,20)7-5-13-10(12)14-6-7/h5-6H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 328.79 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 114387378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).