4-(4-aminophenyl)sulfonylaniline

C12H12N2O2S — CID 2955

IUPAC4-(4-aminophenyl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyMQJKPEGWNLWLTK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.68
Rot. Bonds2

About 4-(4-aminophenyl)sulfonylaniline

4-(4-aminophenyl)sulfonylaniline (PubChem CID 2955) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylaniline
PubChem CID2955
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(4-aminophenyl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyMQJKPEGWNLWLTK-UHFFFAOYSA-N
XLogP1.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.68
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

Sulfanilamide
CID 5333
Sulfanilic acid
CID 8479
4,4'-Thiodianiline
CID 8765
Sodium sulfanilate
CID 23664644
Monoacetyldapsone
CID 11257
3,3'-Sulphonyldianiline
CID 11741
Sulfabenz
CID 31390
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
Dapsone hydroxylamine
CID 65387
Bis(4-nitrophenyl) sulphone
CID 70871
4-(p-Nitrophenylthio)aniline
CID 7566

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylaniline?
The IUPAC name of 4-(4-aminophenyl)sulfonylaniline (CID 2955) is 4-(4-aminophenyl)sulfonylaniline.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylaniline?
The canonical SMILES for 4-(4-aminophenyl)sulfonylaniline is Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylaniline?
The InChIKey is MQJKPEGWNLWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)sulfonylaniline?
4-(4-aminophenyl)sulfonylaniline has a molecular weight of 248.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylaniline is sourced from PubChem (CID 2955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).