2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide

C15H15ClN4O2S — CID 24662871

IUPAC2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)c(Cl)c1
InChIInChI=1S/C15H15ClN4O2S/c1-9-4-5-14(13(16)6-9)23(21,22)19-11-7-12-10(2)18-20(3)15(12)17-8-11/h4-8,19H,1-3H3
InChIKeyHKIBOUCGDYKBGN-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide

2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 24662871) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
PubChem CID24662871
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)c(Cl)c1
InChIInChI=1S/C15H15ClN4O2S/c1-9-4-5-14(13(16)6-9)23(21,22)19-11-7-12-10(2)18-20(3)15(12)17-8-11/h4-8,19H,1-3H3
InChIKeyHKIBOUCGDYKBGN-UHFFFAOYSA-N
XLogP3.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide (CID 24662871) is 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is HKIBOUCGDYKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-9-4-5-14(13(16)6-9)23(21,22)19-11-7-12-10(2)18-20(3)15(12)17-8-11/h4-8,19H,1-3H3.
What are the key properties of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 24662871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).