3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

C14H14ClN5O2S — CID 56849576

IUPAC3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClN5O2S/c1-8-10(15)12(16)20-14(18-8)11(13(17-2)19-20)23(21,22)9-6-4-3-5-7-9/h3-7H,16H2,1-2H3,(H,17,19)
InChIKeyKYZVFKJOEFOFKM-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.15
Rot. Bonds3

About 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 56849576) has the molecular formula C14H14ClN5O2S and a molecular weight of 351.82 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID56849576
Molecular FormulaC14H14ClN5O2S
Molecular Weight351.82 g/mol
Exact Mass351.06
IUPAC Name3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClN5O2S/c1-8-10(15)12(16)20-14(18-8)11(13(17-2)19-20)23(21,22)9-6-4-3-5-7-9/h3-7H,16H2,1-2H3,(H,17,19)
InChIKeyKYZVFKJOEFOFKM-UHFFFAOYSA-N
XLogP2.15
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (CID 56849576) is 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is KYZVFKJOEFOFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S/c1-8-10(15)12(16)20-14(18-8)11(13(17-2)19-20)23(21,22)9-6-4-3-5-7-9/h3-7H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 351.82 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 56849576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).