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

C13H9Cl2N3O2S — CID 2444929

IUPAC2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-10-2-1-3-12(13(10)15)21(19,20)18-9-5-4-8-7-16-17-11(8)6-9/h1-7,18H,(H,16,17)
InChIKeyWBTVQSWVXWEBLO-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.67
Rot. Bonds3

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

2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide (PubChem CID 2444929) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide
PubChem CID2444929
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-10-2-1-3-12(13(10)15)21(19,20)18-9-5-4-8-7-16-17-11(8)6-9/h1-7,18H,(H,16,17)
InChIKeyWBTVQSWVXWEBLO-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 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide (CID 2444929) is 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The InChIKey is WBTVQSWVXWEBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-10-2-1-3-12(13(10)15)21(19,20)18-9-5-4-8-7-16-17-11(8)6-9/h1-7,18H,(H,16,17).
What are the key properties of 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide?
2,3-dichloro-N-(1H-indazol-6-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 2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 2444929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).