3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide

C22H22N6O4S2 — CID 19683694

IUPAC3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)n1
InChIInChI=1S/C22H22N6O4S2/c1-15-22(16(2)28(25-15)19-7-5-4-6-8-19)34(31,32)26-18-9-11-20(12-10-18)33(29,30)27-21-13-14-23-17(3)24-21/h4-14,26H,1-3H3,(H,23,24,27)
InChIKeyNYSIVKTUBACXOX-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.19
Rot. Bonds7

About 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide

3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 19683694) has the molecular formula C22H22N6O4S2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID19683694
Molecular FormulaC22H22N6O4S2
Molecular Weight498.59 g/mol
Exact Mass498.11
IUPAC Name3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)n1
InChIInChI=1S/C22H22N6O4S2/c1-15-22(16(2)28(25-15)19-7-5-4-6-8-19)34(31,32)26-18-9-11-20(12-10-18)33(29,30)27-21-13-14-23-17(3)24-21/h4-14,26H,1-3H3,(H,23,24,27)
InChIKeyNYSIVKTUBACXOX-UHFFFAOYSA-N
XLogP3.19
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683682
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683690
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
3,5-dimethyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775075

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide (CID 19683694) is 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide is Cc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)n1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is NYSIVKTUBACXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4S2/c1-15-22(16(2)28(25-15)19-7-5-4-6-8-19)34(31,32)26-18-9-11-20(12-10-18)33(29,30)27-21-13-14-23-17(3)24-21/h4-14,26H,1-3H3,(H,23,24,27).
What are the key properties of 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 498.59 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 19683694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).