N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide

C14H19N3O2S — CID 115750900

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-8-6-9(2)13(10(3)7-8)20(18,19)17-14-11(4)12(5)15-16-14/h6-7H,1-5H3,(H2,15,16,17)
InChIKeySRZUXGKTINLNEA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.75
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 115750900) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID115750900
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-8-6-9(2)13(10(3)7-8)20(18,19)17-14-11(4)12(5)15-16-14/h6-7H,1-5H3,(H2,15,16,17)
InChIKeySRZUXGKTINLNEA-UHFFFAOYSA-N
XLogP2.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
CID 115750897
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 115750920
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104617067
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide (CID 115750900) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)c1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SRZUXGKTINLNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-6-9(2)13(10(3)7-8)20(18,19)17-14-11(4)12(5)15-16-14/h6-7H,1-5H3,(H2,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 115750900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).