N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C14H19N3O2S — CID 3682880

IUPACN-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-9-6-10(2)8-13(7-9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3
InChIKeyQUSCAKXXCXBLBE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 3682880) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID3682880
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-9-6-10(2)8-13(7-9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3
InChIKeyQUSCAKXXCXBLBE-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107334292
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 3682880) is N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QUSCAKXXCXBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-6-10(2)8-13(7-9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3682880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).