4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide

C13H10ClN3O2S — CID 3011187

IUPAC4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-10-1-4-12(5-2-10)20(18,19)17-11-3-6-13-9(7-11)8-15-16-13/h1-8,17H,(H,15,16)
InChIKeyYJHOTTPBUFVHGS-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds3

About 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide

4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide (PubChem CID 3011187) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
PubChem CID3011187
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-10-1-4-12(5-2-10)20(18,19)17-11-3-6-13-9(7-11)8-15-16-13/h1-8,17H,(H,15,16)
InChIKeyYJHOTTPBUFVHGS-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide (CID 3011187) is 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide?
The InChIKey is YJHOTTPBUFVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-10-1-4-12(5-2-10)20(18,19)17-11-3-6-13-9(7-11)8-15-16-13/h1-8,17H,(H,15,16).
What are the key properties of 4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide?
4-chloro-N-(1H-indazol-5-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-5-yl)benzenesulfonamide is sourced from PubChem (CID 3011187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).