4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide

C13H9Cl2N3O2S — CID 2806039

IUPAC4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O2S/c14-8-4-6-9(7-5-8)21(19,20)18-13-12-10(15)2-1-3-11(12)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyNPSYBDLSGBCIDW-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide

4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 2806039) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID2806039
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O2S/c14-8-4-6-9(7-5-8)21(19,20)18-13-12-10(15)2-1-3-11(12)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyNPSYBDLSGBCIDW-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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Related Compounds

4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686222
3,5-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686764
3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 106606417
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
CID 134581072
N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 67645870
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide (CID 2806039) is 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1n[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is NPSYBDLSGBCIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-8-4-6-9(7-5-8)21(19,20)18-13-12-10(15)2-1-3-11(12)16-17-13/h1-7H,(H2,16,17,18).
What are the key properties of 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide?
4-chloro-N-(4-chloro-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 4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2806039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).