1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide

C12H14N4O5S — CID 22774330

IUPAC1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1
InChIInChI=1S/C12H14N4O5S/c1-3-15-8-10(7-13-15)22(19,20)14-11-5-4-9(16(17)18)6-12(11)21-2/h4-8,14H,3H2,1-2H3
InChIKeyKULKEUWOYQBMDX-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.62
Rot. Bonds6

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

1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide (PubChem CID 22774330) has the molecular formula C12H14N4O5S and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
PubChem CID22774330
Molecular FormulaC12H14N4O5S
Molecular Weight326.33 g/mol
Exact Mass326.07
IUPAC Name1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1
InChIInChI=1S/C12H14N4O5S/c1-3-15-8-10(7-13-15)22(19,20)14-11-5-4-9(16(17)18)6-12(11)21-2/h4-8,14H,3H2,1-2H3
InChIKeyKULKEUWOYQBMDX-UHFFFAOYSA-N
XLogP1.62
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
CID 19281013
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(2-methoxy-4-nitrophenyl)-9,10-dioxoanthracene-2-sulfonamide
CID 3127937
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-[5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 31913130
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063
methyl 2-[[1-(4-chlorophenyl)pyrazol-4-yl]sulfonylamino]-5-nitrobenzoate
CID 170354273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide (CID 22774330) is 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1.
What is the InChIKey of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide?
The InChIKey is KULKEUWOYQBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S/c1-3-15-8-10(7-13-15)22(19,20)14-11-5-4-9(16(17)18)6-12(11)21-2/h4-8,14H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide?
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide has a molecular weight of 326.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22774330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).