(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid

C13H17N3O3S — CID 67219643

IUPAC(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid
SMILESO=S(=O)(O)Nc1ccc2c(C3CCCCC3)[nH]nc2c1
InChIInChI=1S/C13H17N3O3S/c17-20(18,19)16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,14,15)(H,17,18,19)
InChIKeyIRXUXCWIWYYIHM-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.83
Rot. Bonds3

About (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid

(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid (PubChem CID 67219643) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid.

Molecular Properties

Compound Name(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid
PubChem CID67219643
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid
SMILESO=S(=O)(O)Nc1ccc2c(C3CCCCC3)[nH]nc2c1
InChIInChI=1S/C13H17N3O3S/c17-20(18,19)16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,14,15)(H,17,18,19)
InChIKeyIRXUXCWIWYYIHM-UHFFFAOYSA-N
XLogP2.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid?
The IUPAC name of (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid (CID 67219643) is (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid.
What is the SMILES notation for (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid?
The canonical SMILES for (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid is O=S(=O)(O)Nc1ccc2c(C3CCCCC3)[nH]nc2c1.
What is the InChIKey of (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid?
The InChIKey is IRXUXCWIWYYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-20(18,19)16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,14,15)(H,17,18,19).
What are the key properties of (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid?
(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid has a molecular weight of 295.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2H-indazol-6-yl)sulfamic acid is sourced from PubChem (CID 67219643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).