5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide

C7H6Cl2N6O2S — CID 114049200

IUPAC5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N6O2S/c8-4-5(9)11-2-12-7(4)15-18(16,17)3-1-13-14-6(3)10/h1-2H,(H3,10,13,14)(H,11,12,15)
InChIKeyORUIAOBXXZEQHJ-UHFFFAOYSA-N
MW309.14 g/mol
LogP0.89
Rot. Bonds3

About 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 114049200) has the molecular formula C7H6Cl2N6O2S and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID114049200
Molecular FormulaC7H6Cl2N6O2S
Molecular Weight309.14 g/mol
Exact Mass307.96
IUPAC Name5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N6O2S/c8-4-5(9)11-2-12-7(4)15-18(16,17)3-1-13-14-6(3)10/h1-2H,(H3,10,13,14)(H,11,12,15)
InChIKeyORUIAOBXXZEQHJ-UHFFFAOYSA-N
XLogP0.89
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 114049200) is 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ORUIAOBXXZEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N6O2S/c8-4-5(9)11-2-12-7(4)15-18(16,17)3-1-13-14-6(3)10/h1-2H,(H3,10,13,14)(H,11,12,15).
What are the key properties of 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 309.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).