N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide

C13H17N3O2S — CID 22209133

IUPACN-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-5-6-13(10(2)7-9)19(17,18)15-12-8-14-16(4)11(12)3/h5-8,15H,1-4H3
InChIKeyVZXIKCHMYRRYGX-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.15
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide

N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 22209133) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID22209133
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-5-6-13(10(2)7-9)19(17,18)15-12-8-14-16(4)11(12)3/h5-8,15H,1-4H3
InChIKeyVZXIKCHMYRRYGX-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide (CID 22209133) is N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C)c(C)c1.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is VZXIKCHMYRRYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-5-6-13(10(2)7-9)19(17,18)15-12-8-14-16(4)11(12)3/h5-8,15H,1-4H3.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22209133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).