N-(2-amino-4-ethoxyphenyl)benzenesulfonamide

C14H16N2O3S — CID 91687393

IUPACN-(2-amino-4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-2-19-11-8-9-14(13(15)10-11)16-20(17,18)12-6-4-3-5-7-12/h3-10,16H,2,15H2,1H3
InChIKeyPVXFEAXNFDJLJA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds5

About N-(2-amino-4-ethoxyphenyl)benzenesulfonamide

N-(2-amino-4-ethoxyphenyl)benzenesulfonamide (PubChem CID 91687393) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxyphenyl)benzenesulfonamide
PubChem CID91687393
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-amino-4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-2-19-11-8-9-14(13(15)10-11)16-20(17,18)12-6-4-3-5-7-12/h3-10,16H,2,15H2,1H3
InChIKeyPVXFEAXNFDJLJA-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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Related Compounds

4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxyphenyl)benzenesulfonamide (CID 91687393) is N-(2-amino-4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccccc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is PVXFEAXNFDJLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-19-11-8-9-14(13(15)10-11)16-20(17,18)12-6-4-3-5-7-12/h3-10,16H,2,15H2,1H3.
What are the key properties of N-(2-amino-4-ethoxyphenyl)benzenesulfonamide?
N-(2-amino-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 N-(2-amino-4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 91687393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).