2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C12H15N3O2S — CID 112691550

IUPAC2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2C)c(C)c1
InChIInChI=1S/C12H15N3O2S/c1-8-4-5-11(9(2)6-8)18(16,17)15-12-10(3)7-13-14-12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCHUMEVDPDDNDLS-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.14
Rot. Bonds3

About 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 112691550) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID112691550
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2C)c(C)c1
InChIInChI=1S/C12H15N3O2S/c1-8-4-5-11(9(2)6-8)18(16,17)15-12-10(3)7-13-14-12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCHUMEVDPDDNDLS-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

3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 112691551

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 112691550) is 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2[nH]ncc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is CHUMEVDPDDNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-4-5-11(9(2)6-8)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 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2,4-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 2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 112691550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).