5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H14N4O3S — CID 60808972

IUPAC5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O3S/c1-15-6-5-11(13-15)14-19(16,17)10-7-8(12)3-4-9(10)18-2/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeySGXRHPKMGUCWDW-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.81
Rot. Bonds4

About 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide

5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 60808972) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID60808972
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O3S/c1-15-6-5-11(13-15)14-19(16,17)10-7-8(12)3-4-9(10)18-2/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeySGXRHPKMGUCWDW-UHFFFAOYSA-N
XLogP0.81
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104617067
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 60808972) is 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SGXRHPKMGUCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-15-6-5-11(13-15)14-19(16,17)10-7-8(12)3-4-9(10)18-2/h3-7H,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60808972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).