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

C13H16N4O4S — CID 22774298

IUPAC1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C13H16N4O4S/c1-4-16-10(3)13(8-14-16)22(20,21)15-12-6-5-11(17(18)19)7-9(12)2/h5-8,15H,4H2,1-3H3
InChIKeyIPLRHUBXWKFJFT-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.23
Rot. Bonds5

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

1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide (PubChem CID 22774298) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
PubChem CID22774298
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C13H16N4O4S/c1-4-16-10(3)13(8-14-16)22(20,21)15-12-6-5-11(17(18)19)7-9(12)2/h5-8,15H,4H2,1-3H3
InChIKeyIPLRHUBXWKFJFT-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

3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
CID 22774154
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102
methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
CID 22774347
2-methyl-N-(2-methylpentan-2-yl)-4-nitroaniline
CID 113471807
2-ethyl-2-[(2-methyl-4-nitroanilino)methyl]butan-1-ol
CID 81412445
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774330

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide (CID 22774298) is 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide?
The InChIKey is IPLRHUBXWKFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-4-16-10(3)13(8-14-16)22(20,21)15-12-6-5-11(17(18)19)7-9(12)2/h5-8,15H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-(2-methyl-4-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-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22774298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).