4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C15H18N2O3S — CID 9158032

IUPAC4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-12-3-2-4-14(11-12)20-10-9-17-21(18,19)15-7-5-13(16)6-8-15/h2-8,11,17H,9-10,16H2,1H3
InChIKeyBTVVZJRANHXYQE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.93
Rot. Bonds6

About 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 9158032) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID9158032
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-12-3-2-4-14(11-12)20-10-9-17-21(18,19)15-7-5-13(16)6-8-15/h2-8,11,17H,9-10,16H2,1H3
InChIKeyBTVVZJRANHXYQE-UHFFFAOYSA-N
XLogP1.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 9158032) is 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is Cc1cccc(OCCNS(=O)(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is BTVVZJRANHXYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12-3-2-4-14(11-12)20-10-9-17-21(18,19)15-7-5-13(16)6-8-15/h2-8,11,17H,9-10,16H2,1H3.
What are the key properties of 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 9158032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).