2-(4-aminophenyl)sulfonyl-N-ethoxyaniline

C14H16N2O3S — CID 174490123

IUPAC2-(4-aminophenyl)sulfonyl-N-ethoxyaniline
SMILESCCONc1ccccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-16-13-5-3-4-6-14(13)20(17,18)12-9-7-11(15)8-10-12/h3-10,16H,2,15H2,1H3
InChIKeyXLERZDNWFQXHBJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.46
Rot. Bonds5

About 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline

2-(4-aminophenyl)sulfonyl-N-ethoxyaniline (PubChem CID 174490123) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-ethoxyaniline
PubChem CID174490123
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(4-aminophenyl)sulfonyl-N-ethoxyaniline
SMILESCCONc1ccccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-16-13-5-3-4-6-14(13)20(17,18)12-9-7-11(15)8-10-12/h3-10,16H,2,15H2,1H3
InChIKeyXLERZDNWFQXHBJ-UHFFFAOYSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)sulfonylaniline
CID 10801498
4-N-ethoxybenzene-1,4-diamine;sulfuric acid
CID 172834421
ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
CID 22304964
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
(2-methoxyanilino) 4-aminobenzenesulfonate
CID 88734298
2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline
CID 578751
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline (CID 174490123) is 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline is CCONc1ccccc1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline?
The InChIKey is XLERZDNWFQXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-19-16-13-5-3-4-6-14(13)20(17,18)12-9-7-11(15)8-10-12/h3-10,16H,2,15H2,1H3.
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline?
2-(4-aminophenyl)sulfonyl-N-ethoxyaniline has a molecular weight of 292.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-ethoxyaniline is sourced from PubChem (CID 174490123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).