1H-indazole;sulfonylurea

C8H8N4O3S — CID 158433470

IUPAC1H-indazole;sulfonylurea
SMILESNC(=O)N=S(=O)=O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CH2N2O3S/c1-2-4-7-6(3-1)5-8-9-7;2-1(4)3-7(5)6/h1-5H,(H,8,9);(H2,2,4)
InChIKeyHBYBJAZKBJLNIC-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.69
Rot. Bonds

About 1H-indazole;sulfonylurea

1H-indazole;sulfonylurea (PubChem CID 158433470) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 1H-indazole;sulfonylurea.

Molecular Properties

Compound Name1H-indazole;sulfonylurea
PubChem CID158433470
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name1H-indazole;sulfonylurea
SMILESNC(=O)N=S(=O)=O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CH2N2O3S/c1-2-4-7-6(3-1)5-8-9-7;2-1(4)3-7(5)6/h1-5H,(H,8,9);(H2,2,4)
InChIKeyHBYBJAZKBJLNIC-UHFFFAOYSA-N
XLogP0.69
TPSA118.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;sulfonylurea?
The IUPAC name of 1H-indazole;sulfonylurea (CID 158433470) is 1H-indazole;sulfonylurea.
What is the SMILES notation for 1H-indazole;sulfonylurea?
The canonical SMILES for 1H-indazole;sulfonylurea is NC(=O)N=S(=O)=O.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;sulfonylurea?
The InChIKey is HBYBJAZKBJLNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CH2N2O3S/c1-2-4-7-6(3-1)5-8-9-7;2-1(4)3-7(5)6/h1-5H,(H,8,9);(H2,2,4).
What are the key properties of 1H-indazole;sulfonylurea?
1H-indazole;sulfonylurea has a molecular weight of 240.24 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;sulfonylurea is sourced from PubChem (CID 158433470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).