N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H20N4O4S — CID 100657277

IUPACN-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-3-7-17(8-4-14)26-31(28,29)21-11-15(6-10-20(21)30-2)22(27)24-18-9-5-16-13-23-25-19(16)12-18/h3-13,26H,1-2H3,(H,23,25)(H,24,27)
InChIKeyXIKNOTNPZQERER-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.93
Rot. Bonds6

About N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 100657277) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID100657277
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-3-7-17(8-4-14)26-31(28,29)21-11-15(6-10-20(21)30-2)22(27)24-18-9-5-16-13-23-25-19(16)12-18/h3-13,26H,1-2H3,(H,23,25)(H,24,27)
InChIKeyXIKNOTNPZQERER-UHFFFAOYSA-N
XLogP3.93
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36664795
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 100657277) is N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is XIKNOTNPZQERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-14-3-7-17(8-4-14)26-31(28,29)21-11-15(6-10-20(21)30-2)22(27)24-18-9-5-16-13-23-25-19(16)12-18/h3-13,26H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 100657277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).