4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C12H20N2O4S — CID 104758400

IUPAC4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C12H20N2O4S/c1-9(2)18-7-6-14-19(15,16)12-5-4-10(13)8-11(12)17-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyPJXDKIFTITXDIZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.98
Rot. Bonds7

About 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide

4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 104758400) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID104758400
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C12H20N2O4S/c1-9(2)18-7-6-14-19(15,16)12-5-4-10(13)8-11(12)17-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyPJXDKIFTITXDIZ-UHFFFAOYSA-N
XLogP0.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63981376
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 104758400) is 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is PJXDKIFTITXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(2)18-7-6-14-19(15,16)12-5-4-10(13)8-11(12)17-3/h4-5,8-9,14H,6-7,13H2,1-3H3.
What are the key properties of 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 104758400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).