N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide

C12H15N3O2S — CID 47267507

IUPACN-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N3O2S/c1-3-10-6-4-5-9(2)12(10)15-18(16,17)11-7-13-14-8-11/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyASNCPACLTCAXTI-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.08
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide

N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267507) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267507
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N3O2S/c1-3-10-6-4-5-9(2)12(10)15-18(16,17)11-7-13-14-8-11/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyASNCPACLTCAXTI-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 61356371
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 47267507) is N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ASNCPACLTCAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-10-6-4-5-9(2)12(10)15-18(16,17)11-7-13-14-8-11/h4-8,15H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).