3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide

C14H13N3O3S — CID 53476531

IUPAC3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
SMILESCOc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C14H13N3O3S/c1-20-10-5-6-13-12(8-10)14(17-16-13)9-3-2-4-11(7-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyCGJHRRDFRITZSG-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.89
Rot. Bonds3

About 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide

3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 53476531) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
PubChem CID53476531
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
SMILESCOc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C14H13N3O3S/c1-20-10-5-6-13-12(8-10)14(17-16-13)9-3-2-4-11(7-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyCGJHRRDFRITZSG-UHFFFAOYSA-N
XLogP1.89
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide (CID 53476531) is 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide is COc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is CGJHRRDFRITZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-10-5-6-13-12(8-10)14(17-16-13)9-3-2-4-11(7-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide?
3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 53476531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).