N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C17H15Cl2N3O2S — CID 22773571

IUPACN-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-13-8-9-15(18)16(19)10-13/h3-10,21H,1-2H3
InChIKeyOBUCJOTUDGFVME-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.60
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22773571) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22773571
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-13-8-9-15(18)16(19)10-13/h3-10,21H,1-2H3
InChIKeyOBUCJOTUDGFVME-UHFFFAOYSA-N
XLogP4.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22775113
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774079
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774641
3,5-dimethyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775075
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22773571) is N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is OBUCJOTUDGFVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-13-8-9-15(18)16(19)10-13/h3-10,21H,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 396.30 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).