3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

C14H16N2O3S — CID 61166904

IUPAC3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-2-10-6-7-13(9-14(10)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-9,16-17H,2,15H2,1H3
InChIKeyFUQOVUOGEHRFTP-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.34
Rot. Bonds4

About 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 61166904) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID61166904
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-2-10-6-7-13(9-14(10)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-9,16-17H,2,15H2,1H3
InChIKeyFUQOVUOGEHRFTP-UHFFFAOYSA-N
XLogP2.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (CID 61166904) is 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is FUQOVUOGEHRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-10-6-7-13(9-14(10)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-9,16-17H,2,15H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61166904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).