2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide

C12H13ClN4O3S — CID 61041715

IUPAC2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide
SMILESCCCn1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1=O
InChIInChI=1S/C12H13ClN4O3S/c1-2-5-17-8-9(3-4-11(17)18)16-21(19,20)10-6-14-12(13)15-7-10/h3-4,6-8,16H,2,5H2,1H3
InChIKeyFGBCUSGYZDREHN-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.50
Rot. Bonds5

About 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide

2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide (PubChem CID 61041715) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide
PubChem CID61041715
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide
SMILESCCCn1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1=O
InChIInChI=1S/C12H13ClN4O3S/c1-2-5-17-8-9(3-4-11(17)18)16-21(19,20)10-6-14-12(13)15-7-10/h3-4,6-8,16H,2,5H2,1H3
InChIKeyFGBCUSGYZDREHN-UHFFFAOYSA-N
XLogP1.50
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide (CID 61041715) is 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide is CCCn1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1=O.
What is the InChIKey of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide?
The InChIKey is FGBCUSGYZDREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-2-5-17-8-9(3-4-11(17)18)16-21(19,20)10-6-14-12(13)15-7-10/h3-4,6-8,16H,2,5H2,1H3.
What are the key properties of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide?
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).