N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide

C11H12N4O4S — CID 115750876

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C11H12N4O4S/c1-2-8-7-11(13-12-8)14-20(18,19)10-6-4-3-5-9(10)15(16)17/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyKWBOHRDYRGJDTO-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.68
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide (PubChem CID 115750876) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
PubChem CID115750876
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C11H12N4O4S/c1-2-8-7-11(13-12-8)14-20(18,19)10-6-4-3-5-9(10)15(16)17/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyKWBOHRDYRGJDTO-UHFFFAOYSA-N
XLogP1.68
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 43547583
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
N-(1-ethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 22209192
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide (CID 115750876) is N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide?
The InChIKey is KWBOHRDYRGJDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-2-8-7-11(13-12-8)14-20(18,19)10-6-4-3-5-9(10)15(16)17/h3-7H,2H2,1H3,(H2,12,13,14).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115750876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).