N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide

C17H19N3O3S — CID 110757572

IUPACN-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C(C)C
InChIInChI=1S/C17H19N3O3S/c1-11(2)15-9-14(6-7-17(15)23-3)24(21,22)20-13-5-4-12-10-18-19-16(12)8-13/h4-11,20H,1-3H3,(H,18,19)
InChIKeyBBNUVFNMCRSZPV-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.50
Rot. Bonds5

About N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide

N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide (PubChem CID 110757572) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
PubChem CID110757572
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C(C)C
InChIInChI=1S/C17H19N3O3S/c1-11(2)15-9-14(6-7-17(15)23-3)24(21,22)20-13-5-4-12-10-18-19-16(12)8-13/h4-11,20H,1-3H3,(H,18,19)
InChIKeyBBNUVFNMCRSZPV-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
CID 110757658
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-(1H-indazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7530705
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide (CID 110757572) is N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C(C)C.
What is the InChIKey of N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The InChIKey is BBNUVFNMCRSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)15-9-14(6-7-17(15)23-3)24(21,22)20-13-5-4-12-10-18-19-16(12)8-13/h4-11,20H,1-3H3,(H,18,19).
What are the key properties of N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide?
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.50, 5 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)-4-methoxy-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110757572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).