2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide

C13H9Cl2N3O2S — CID 62686222

IUPAC2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-9-5-3-6-10(15)12(9)21(19,20)18-13-8-4-1-2-7-11(8)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyVCQBLRLNCBKGIM-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.67
Rot. Bonds3

About 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide

2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide (PubChem CID 62686222) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
PubChem CID62686222
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-9-5-3-6-10(15)12(9)21(19,20)18-13-8-4-1-2-7-11(8)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyVCQBLRLNCBKGIM-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide (CID 62686222) is 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1n[nH]c2ccccc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is VCQBLRLNCBKGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-9-5-3-6-10(15)12(9)21(19,20)18-13-8-4-1-2-7-11(8)16-17-13/h1-7H,(H2,16,17,18).
What are the key properties of 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide?
2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62686222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).