4-amino-N-(4-ethoxyphenyl)benzenesulfonamide

C14H16N2O3S — CID 788027

IUPAC4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2,15H2,1H3
InChIKeySBPXTHAKRLEODG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide

4-amino-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 788027) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID788027
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2,15H2,1H3
InChIKeySBPXTHAKRLEODG-UHFFFAOYSA-N
XLogP2.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
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-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide (CID 788027) is 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is SBPXTHAKRLEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2,15H2,1H3.
What are the key properties of 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide?
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).