3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

C21H19N3O3S — CID 177245163

IUPAC3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H19N3O3S/c1-14-4-3-5-17(10-14)24-28(25,26)18-7-9-21(27-2)19(12-18)15-6-8-20-16(11-15)13-22-23-20/h3-13,24H,1-2H3,(H,22,23)
InChIKeyCPVTXGWHWHWYHT-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.35
Rot. Bonds5

About 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 177245163) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
PubChem CID177245163
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H19N3O3S/c1-14-4-3-5-17(10-14)24-28(25,26)18-7-9-21(27-2)19(12-18)15-6-8-20-16(11-15)13-22-23-20/h3-13,24H,1-2H3,(H,22,23)
InChIKeyCPVTXGWHWHWYHT-UHFFFAOYSA-N
XLogP4.35
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245122
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
CID 25181820
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245152
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (CID 177245163) is 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is CPVTXGWHWHWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-4-3-5-17(10-14)24-28(25,26)18-7-9-21(27-2)19(12-18)15-6-8-20-16(11-15)13-22-23-20/h3-13,24H,1-2H3,(H,22,23).
What are the key properties of 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 177245163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).