3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide

C18H20N4O4S2 — CID 22203263

IUPAC3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H20N4O4S2/c1-13-18(14(2)22(20-13)16-7-5-4-6-8-16)28(25,26)21-15-9-11-17(12-10-15)27(23,24)19-3/h4-12,19,21H,1-3H3
InChIKeyDWAUGMIYKTXOOH-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.20
Rot. Bonds6

About 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide

3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 22203263) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID22203263
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H20N4O4S2/c1-13-18(14(2)22(20-13)16-7-5-4-6-8-16)28(25,26)21-15-9-11-17(12-10-15)27(23,24)19-3/h4-12,19,21H,1-3H3
InChIKeyDWAUGMIYKTXOOH-UHFFFAOYSA-N
XLogP2.20
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
CID 19683694
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
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
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774079
N-(4-chloro-3-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22775113
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide (CID 22203263) is 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide is CNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is DWAUGMIYKTXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-13-18(14(2)22(20-13)16-7-5-4-6-8-16)28(25,26)21-15-9-11-17(12-10-15)27(23,24)19-3/h4-12,19,21H,1-3H3.
What are the key properties of 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 420.52 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).