5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C12H16N4O3S — CID 61459711

IUPAC5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H16N4O3S/c1-19-11-4-3-10(13)9-12(11)20(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8,13H2,1H3
InChIKeyBBYUFQYRNKKSCB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds6

About 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61459711) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61459711
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H16N4O3S/c1-19-11-4-3-10(13)9-12(11)20(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8,13H2,1H3
InChIKeyBBYUFQYRNKKSCB-UHFFFAOYSA-N
XLogP0.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
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

2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
CID 61325918
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61459711) is 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is BBYUFQYRNKKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-19-11-4-3-10(13)9-12(11)20(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8,13H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.45, 6 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-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61459711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).