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

C13H10ClN3O2S — CID 62686573

IUPAC3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H2,15,16,17)
InChIKeyHFYHUIMZPXFOCP-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds3

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

3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide (PubChem CID 62686573) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
PubChem CID62686573
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H2,15,16,17)
InChIKeyHFYHUIMZPXFOCP-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686764
3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 106606417
2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686222
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
CID 2806039
N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 67647047
5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
CID 106272595
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
CID 154337596
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(1H-indazol-3-yl)-1-phenylmethanesulfonamide
CID 62687480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide (CID 62686573) is 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1n[nH]c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is HFYHUIMZPXFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H2,15,16,17).
What are the key properties of 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62686573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).