4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H16N2O3S — CID 9150628

IUPAC4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-12-3-7-14(8-4-12)20(18,19)16-10-9-11-1-5-13(17)6-2-11/h1-8,16-17H,9-10,15H2
InChIKeyFSQFDAJUAUHCGU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.50
Rot. Bonds5

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

4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 9150628) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID9150628
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-12-3-7-14(8-4-12)20(18,19)16-10-9-11-1-5-13(17)6-2-11/h1-8,16-17H,9-10,15H2
InChIKeyFSQFDAJUAUHCGU-UHFFFAOYSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 9150628) is 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is FSQFDAJUAUHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-12-3-7-14(8-4-12)20(18,19)16-10-9-11-1-5-13(17)6-2-11/h1-8,16-17H,9-10,15H2.
What are the key properties of 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).