N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H24N4O3S — CID 99164246

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-12-14-21(15-13-17)28-33(31,32)23-11-7-8-20(16-23)25(30)26-24-18(2)27-29(19(24)3)22-9-5-4-6-10-22/h4-16,28H,1-3H3,(H,26,30)
InChIKeyBIKCIPHXGVPNMY-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.85
Rot. Bonds6

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 99164246) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID99164246
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-12-14-21(15-13-17)28-33(31,32)23-11-7-8-20(16-23)25(30)26-24-18(2)27-29(19(24)3)22-9-5-4-6-10-22/h4-16,28H,1-3H3,(H,26,30)
InChIKeyBIKCIPHXGVPNMY-UHFFFAOYSA-N
XLogP4.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972452
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134034027
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 99164246) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BIKCIPHXGVPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-12-14-21(15-13-17)28-33(31,32)23-11-7-8-20(16-23)25(30)26-24-18(2)27-29(19(24)3)22-9-5-4-6-10-22/h4-16,28H,1-3H3,(H,26,30).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 99164246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).