3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H14N4O3S — CID 104617179

IUPAC3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1N
InChIInChI=1S/C11H14N4O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,12H2,1-2H3,(H2,13,14,15)
InChIKeySCLNRPZJZBSIAR-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104617179) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104617179
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1N
InChIInChI=1S/C11H14N4O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,12H2,1-2H3,(H2,13,14,15)
InChIKeySCLNRPZJZBSIAR-UHFFFAOYSA-N
XLogP1.11
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.11
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

3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104617179) is 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is SCLNRPZJZBSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104617179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).