2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide

C14H17N7O3S — CID 134158181

IUPAC2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide
SMILESCn1ncc2c(NCCO)nc(Nc3ccccc3S(N)(=O)=O)nc21
InChIInChI=1S/C14H17N7O3S/c1-21-13-9(8-17-21)12(16-6-7-22)19-14(20-13)18-10-4-2-3-5-11(10)25(15,23)24/h2-5,8,22H,6-7H2,1H3,(H2,15,23,24)(H2,16,18,19,20)
InChIKeyGVIZNSWQHJPTRK-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.16
Rot. Bonds6

About 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide

2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide (PubChem CID 134158181) has the molecular formula C14H17N7O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide
PubChem CID134158181
Molecular FormulaC14H17N7O3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide
SMILESCn1ncc2c(NCCO)nc(Nc3ccccc3S(N)(=O)=O)nc21
InChIInChI=1S/C14H17N7O3S/c1-21-13-9(8-17-21)12(16-6-7-22)19-14(20-13)18-10-4-2-3-5-11(10)25(15,23)24/h2-5,8,22H,6-7H2,1H3,(H2,15,23,24)(H2,16,18,19,20)
InChIKeyGVIZNSWQHJPTRK-UHFFFAOYSA-N
XLogP0.16
TPSA148.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide (CID 134158181) is 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide is Cn1ncc2c(NCCO)nc(Nc3ccccc3S(N)(=O)=O)nc21.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide?
The InChIKey is GVIZNSWQHJPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3S/c1-21-13-9(8-17-21)12(16-6-7-22)19-14(20-13)18-10-4-2-3-5-11(10)25(15,23)24/h2-5,8,22H,6-7H2,1H3,(H2,15,23,24)(H2,16,18,19,20).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide?
2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide has a molecular weight of 363.40 g/mol, XLogP of 0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide is sourced from PubChem (CID 134158181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).