1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide

C11H12N4O4S — CID 22774102

IUPAC1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C11H12N4O4S/c1-8-11(7-12-14(8)2)20(18,19)13-9-4-3-5-10(6-9)15(16)17/h3-7,13H,1-2H3
InChIKeyRZRZUUITHAWMOO-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.44
Rot. Bonds4

About 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide

1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide (PubChem CID 22774102) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
PubChem CID22774102
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C11H12N4O4S/c1-8-11(7-12-14(8)2)20(18,19)13-9-4-3-5-10(6-9)15(16)17/h3-7,13H,1-2H3
InChIKeyRZRZUUITHAWMOO-UHFFFAOYSA-N
XLogP1.44
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.44
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

N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
3,4-dimethyl-5-[(3-nitrophenyl)sulfamoyl]benzoic acid
CID 886334
1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
CID 22203774
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 46336603
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
CID 62143197
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55700067
CID 89107790
CID 89107790
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide (CID 22774102) is 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide?
The InChIKey is RZRZUUITHAWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-8-11(7-12-14(8)2)20(18,19)13-9-4-3-5-10(6-9)15(16)17/h3-7,13H,1-2H3.
What are the key properties of 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22774102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).