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

C16H17N3O3S — CID 110731214

IUPACN-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-15(22-3)16(7-11(10)2)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18)
InChIKeyZEWGEPCQVIWEDN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.99
Rot. Bonds4

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

N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 110731214) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID110731214
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-15(22-3)16(7-11(10)2)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18)
InChIKeyZEWGEPCQVIWEDN-UHFFFAOYSA-N
XLogP2.99
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 110731214) is N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZEWGEPCQVIWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-6-15(22-3)16(7-11(10)2)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110731214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).