N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

C25H24N4O3S — CID 37093234

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-8-12-21(13-9-17)28-33(31,32)22-14-10-20(11-15-22)25(30)26-23-6-4-5-7-24(23)29-19(3)16-18(2)27-29/h4-16,28H,1-3H3,(H,26,30)
InChIKeyKWZGCZUDGMLYGD-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.85
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 37093234) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID37093234
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-17-8-12-21(13-9-17)28-33(31,32)22-14-10-20(11-15-22)25(30)26-23-6-4-5-7-24(23)29-19(3)16-18(2)27-29/h4-16,28H,1-3H3,(H,26,30)
InChIKeyKWZGCZUDGMLYGD-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-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 43073973
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 37093234) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KWZGCZUDGMLYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-8-12-21(13-9-17)28-33(31,32)22-14-10-20(11-15-22)25(30)26-23-6-4-5-7-24(23)29-19(3)16-18(2)27-29/h4-16,28H,1-3H3,(H,26,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(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-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 37093234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).