4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

C15H16ClN5O2S — CID 58662247

IUPAC4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc2nc(Cl)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C15H16ClN5O2S/c1-10-8-14-18-13(16)9-15(21(14)19-10)17-11-4-6-12(7-5-11)24(22,23)20(2)3/h4-9,17H,1-3H3
InChIKeyZMWHGCRZKXXTLR-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.69
Rot. Bonds4

About 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 58662247) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID58662247
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc2nc(Cl)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C15H16ClN5O2S/c1-10-8-14-18-13(16)9-15(21(14)19-10)17-11-4-6-12(7-5-11)24(22,23)20(2)3/h4-9,17H,1-3H3
InChIKeyZMWHGCRZKXXTLR-UHFFFAOYSA-N
XLogP2.69
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 58662247) is 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is Cc1cc2nc(Cl)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1.
What is the InChIKey of 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZMWHGCRZKXXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-10-8-14-18-13(16)9-15(21(14)19-10)17-11-4-6-12(7-5-11)24(22,23)20(2)3/h4-9,17H,1-3H3.
What are the key properties of 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 365.85 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 58662247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).