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

C17H19N3O3S — CID 2237144

IUPAC4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-4-23-16-7-12(3)17(8-11(16)2)24(21,22)20-14-6-5-13-10-18-19-15(13)9-14/h5-10,20H,4H2,1-3H3,(H,18,19)
InChIKeyCBRXZXKNYLAJTP-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.38
Rot. Bonds5

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

4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2237144) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID2237144
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-4-23-16-7-12(3)17(8-11(16)2)24(21,22)20-14-6-5-13-10-18-19-15(13)9-14/h5-10,20H,4H2,1-3H3,(H,18,19)
InChIKeyCBRXZXKNYLAJTP-UHFFFAOYSA-N
XLogP3.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-Ethoxy-6-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-3-Yl]-2-Methylbenzenesulfonamide
CID 71576779
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682142
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
N-(1H-indazol-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 1507316
1-[(4-ethoxynaphthalen-1-yl)sulfonyl]-3-methyl-1H-pyrazole
CID 2056201
N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 2078537
1-(2,5-Dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
CID 2222386
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide
CID 155521401

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (CID 2237144) is 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C.
What is the InChIKey of 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is CBRXZXKNYLAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-23-16-7-12(3)17(8-11(16)2)24(21,22)20-14-6-5-13-10-18-19-15(13)9-14/h5-10,20H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2237144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).