4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide

C12H16N4O3S — CID 104616810

IUPAC4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(N)cc2OC)n[nH]1
InChIInChI=1S/C12H16N4O3S/c1-3-9-7-12(15-14-9)16-20(17,18)11-5-4-8(13)6-10(11)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyXSLVMNXKSFLSRO-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.36
Rot. Bonds5

About 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide

4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide (PubChem CID 104616810) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
PubChem CID104616810
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(N)cc2OC)n[nH]1
InChIInChI=1S/C12H16N4O3S/c1-3-9-7-12(15-14-9)16-20(17,18)11-5-4-8(13)6-10(11)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyXSLVMNXKSFLSRO-UHFFFAOYSA-N
XLogP1.36
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
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
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115750892
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide (CID 104616810) is 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(N)cc2OC)n[nH]1.
What is the InChIKey of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XSLVMNXKSFLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-9-7-12(15-14-9)16-20(17,18)11-5-4-8(13)6-10(11)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 104616810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).