N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide

C15H18N2O3S — CID 39439996

IUPACN-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-9-15(10-8-14)21(18,19)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11,16H2,1H3
InChIKeyCSZBCQAATFYWGU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.15
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide

N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide (PubChem CID 39439996) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
PubChem CID39439996
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-9-15(10-8-14)21(18,19)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11,16H2,1H3
InChIKeyCSZBCQAATFYWGU-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide (CID 39439996) is N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide?
The InChIKey is CSZBCQAATFYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-14-7-9-15(10-8-14)21(18,19)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide?
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 39439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).