4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide

C13H10ClN3O2S — CID 2091305

IUPAC4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,(H,15,16)
InChIKeyALCTZFTWBPOPAW-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds3

About 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide

4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide (PubChem CID 2091305) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide
PubChem CID2091305
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,(H,15,16)
InChIKeyALCTZFTWBPOPAW-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

N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444871
4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
CID 83696
N-(1H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 8002115
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
2,3-dichloro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444929
4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
CID 5298113
N-(1H-indazol-6-yl)butane-1-sulfonamide
CID 2531217
3-chloro-N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]benzenesulfonamide
CID 137647304
2-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 16304770
N-(1H-indazol-6-yl)propane-1-sulfonamide
CID 2444852
2-chloro-N-(1H-indazol-6-yl)-5-nitrobenzenesulfonamide
CID 9144140
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide (CID 2091305) is 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide?
The InChIKey is ALCTZFTWBPOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,(H,15,16).
What are the key properties of 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide?
4-chloro-N-(1H-indazol-6-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 4-chloro-N-(1H-indazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 2091305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).