3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C12H15N3O2S — CID 113237180

IUPAC3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1C
InChIInChI=1S/C12H15N3O2S/c1-8-4-5-11(6-9(8)2)18(16,17)15-12-10(3)7-13-14-12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyOTFNSXPAWVEXJE-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.14
Rot. Bonds3

About 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113237180) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113237180
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1C
InChIInChI=1S/C12H15N3O2S/c1-8-4-5-11(6-9(8)2)18(16,17)15-12-10(3)7-13-14-12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyOTFNSXPAWVEXJE-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433906
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113237180) is 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is OTFNSXPAWVEXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-4-5-11(6-9(8)2)18(16,17)15-12-10(3)7-13-14-12/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113237180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).