4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide

C15H14ClN3O2S — CID 5298113

IUPAC4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-9-6-15(10(2)5-13(9)16)22(20,21)19-12-4-3-11-8-17-18-14(11)7-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyOCESNVPJCFERML-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.63
Rot. Bonds3

About 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 5298113) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID5298113
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-9-6-15(10(2)5-13(9)16)22(20,21)19-12-4-3-11-8-17-18-14(11)7-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyOCESNVPJCFERML-UHFFFAOYSA-N
XLogP3.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.63
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-6-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (CID 5298113) is 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is OCESNVPJCFERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-6-15(10(2)5-13(9)16)22(20,21)19-12-4-3-11-8-17-18-14(11)7-12/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.63, 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)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 5298113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).