5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine

C15H15N3O2S — CID 11601868

IUPAC5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-21(19,20)12-6-3-10(4-7-12)11-5-8-14-13(9-11)15(16)18-17-14/h3-9H,2H2,1H3,(H3,16,17,18)
InChIKeyOBWNDLABSGHHAC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.61
Rot. Bonds3

About 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine

5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine (PubChem CID 11601868) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine
PubChem CID11601868
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-21(19,20)12-6-3-10(4-7-12)11-5-8-14-13(9-11)15(16)18-17-14/h3-9H,2H2,1H3,(H3,16,17,18)
InChIKeyOBWNDLABSGHHAC-UHFFFAOYSA-N
XLogP2.61
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine?
The IUPAC name of 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine (CID 11601868) is 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine is CCS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine?
The InChIKey is OBWNDLABSGHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-21(19,20)12-6-3-10(4-7-12)11-5-8-14-13(9-11)15(16)18-17-14/h3-9H,2H2,1H3,(H3,16,17,18).
What are the key properties of 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine?
5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine has a molecular weight of 301.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 11601868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).