1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide

C13H16N4O4S — CID 22774154

IUPAC1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)n1
InChIInChI=1S/C13H16N4O4S/c1-4-16-8-13(10(3)14-16)22(20,21)15-12-7-11(17(18)19)6-5-9(12)2/h5-8,15H,4H2,1-3H3
InChIKeySVSLQUQOCRJXPS-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.23
Rot. Bonds5

About 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide (PubChem CID 22774154) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
PubChem CID22774154
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)n1
InChIInChI=1S/C13H16N4O4S/c1-4-16-8-13(10(3)14-16)22(20,21)15-12-7-11(17(18)19)6-5-9(12)2/h5-8,15H,4H2,1-3H3
InChIKeySVSLQUQOCRJXPS-UHFFFAOYSA-N
XLogP2.23
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774298
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide (CID 22774154) is 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide?
The InChIKey is SVSLQUQOCRJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-4-16-8-13(10(3)14-16)22(20,21)15-12-7-11(17(18)19)6-5-9(12)2/h5-8,15H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22774154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).