5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide

C12H10ClN5O2S — CID 154848396

IUPAC5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide
SMILESCc1cc2ncc(NS(=O)(=O)c3cncc(Cl)c3)cn2n1
InChIInChI=1S/C12H10ClN5O2S/c1-8-2-12-15-5-10(7-18(12)16-8)17-21(19,20)11-3-9(13)4-14-6-11/h2-7,17H,1H3
InChIKeyNQGKPNWMNOPLMO-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.89
Rot. Bonds3

About 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide

5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide (PubChem CID 154848396) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide
PubChem CID154848396
Molecular FormulaC12H10ClN5O2S
Molecular Weight323.77 g/mol
Exact Mass323.02
IUPAC Name5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide
SMILESCc1cc2ncc(NS(=O)(=O)c3cncc(Cl)c3)cn2n1
InChIInChI=1S/C12H10ClN5O2S/c1-8-2-12-15-5-10(7-18(12)16-8)17-21(19,20)11-3-9(13)4-14-6-11/h2-7,17H,1H3
InChIKeyNQGKPNWMNOPLMO-UHFFFAOYSA-N
XLogP1.89
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide (CID 154848396) is 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide is Cc1cc2ncc(NS(=O)(=O)c3cncc(Cl)c3)cn2n1.
What is the InChIKey of 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide?
The InChIKey is NQGKPNWMNOPLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c1-8-2-12-15-5-10(7-18(12)16-8)17-21(19,20)11-3-9(13)4-14-6-11/h2-7,17H,1H3.
What are the key properties of 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide?
5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide has a molecular weight of 323.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 154848396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).