3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide

C15H18N2O3S — CID 43111821

IUPAC3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-15(20-2)14(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyJRXMYYLEWYAVAD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide

3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 43111821) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
PubChem CID43111821
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-15(20-2)14(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyJRXMYYLEWYAVAD-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.32
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

3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide (CID 43111821) is 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is JRXMYYLEWYAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-15(20-2)14(16)10-13/h3-11,17H,16H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 43111821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).