4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

C15H18N2O3S — CID 61126470

IUPAC4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11(12-4-3-5-14(10-12)20-2)17-21(18,19)15-8-6-13(16)7-9-15/h3-11,17H,16H2,1-2H3
InChIKeyAURVTFOZHDSOBB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.32
Rot. Bonds5

About 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 61126470) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID61126470
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11(12-4-3-5-14(10-12)20-2)17-21(18,19)15-8-6-13(16)7-9-15/h3-11,17H,16H2,1-2H3
InChIKeyAURVTFOZHDSOBB-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

4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 61126470) is 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is AURVTFOZHDSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(12-4-3-5-14(10-12)20-2)17-21(18,19)15-8-6-13(16)7-9-15/h3-11,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
4-amino-N-[1-(3-methoxyphenyl)ethyl]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 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61126470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).