4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide

C12H20N2O3S — CID 43258356

IUPAC4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)6-7-14-18(15,16)12-5-4-10(13)8-11(12)17-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyIVQFPZNZSZZMOF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.60
Rot. Bonds6

About 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide

4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 43258356) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
PubChem CID43258356
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)6-7-14-18(15,16)12-5-4-10(13)8-11(12)17-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyIVQFPZNZSZZMOF-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
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
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
3-methoxy-4-(4-methylpentylsulfonyl)aniline
CID 83163001
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide (CID 43258356) is 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is IVQFPZNZSZZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)6-7-14-18(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-(3-methylbutyl)benzenesulfonamide?
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 43258356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).