3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide

C10H13ClN6O2S — CID 116794715

IUPAC3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)c(N)n1
InChIInChI=1S/C10H13ClN6O2S/c1-2-5-17-6-7(9(12)15-17)20(18,19)16-8-3-4-13-10(11)14-8/h3-4,6H,2,5H2,1H3,(H2,12,15)(H,13,14,16)
InChIKeySVCQKUIVGVZCHB-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.12
Rot. Bonds5

About 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 116794715) has the molecular formula C10H13ClN6O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID116794715
Molecular FormulaC10H13ClN6O2S
Molecular Weight316.77 g/mol
Exact Mass316.05
IUPAC Name3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)c(N)n1
InChIInChI=1S/C10H13ClN6O2S/c1-2-5-17-6-7(9(12)15-17)20(18,19)16-8-3-4-13-10(11)14-8/h3-4,6H,2,5H2,1H3,(H2,12,15)(H,13,14,16)
InChIKeySVCQKUIVGVZCHB-UHFFFAOYSA-N
XLogP1.12
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide (CID 116794715) is 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)c(N)n1.
What is the InChIKey of 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is SVCQKUIVGVZCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2S/c1-2-5-17-6-7(9(12)15-17)20(18,19)16-8-3-4-13-10(11)14-8/h3-4,6H,2,5H2,1H3,(H2,12,15)(H,13,14,16).
What are the key properties of 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 316.77 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 116794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).