4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide

C24H22N4O4S — CID 55537154

IUPAC4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-8-11-19(12-9-17)27-33(30,31)22-16-18(10-13-21(22)32-2)24(29)25-23-14-15-28(26-23)20-6-4-3-5-7-20/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyVRRSRMLLTXEJGK-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.24
Rot. Bonds7

About 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55537154) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55537154
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-8-11-19(12-9-17)27-33(30,31)22-16-18(10-13-21(22)32-2)24(29)25-23-14-15-28(26-23)20-6-4-3-5-7-20/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyVRRSRMLLTXEJGK-UHFFFAOYSA-N
XLogP4.24
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
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
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537082
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (CID 55537154) is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is VRRSRMLLTXEJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17-8-11-19(12-9-17)27-33(30,31)22-16-18(10-13-21(22)32-2)24(29)25-23-14-15-28(26-23)20-6-4-3-5-7-20/h3-16,27H,1-2H3,(H,25,26,29).
What are the key properties of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55537154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).