4-(4-aminophenyl)sulfonylaniline;dihydroiodide

C12H14I2N2O2S — CID 24833766

IUPAC4-(4-aminophenyl)sulfonylaniline;dihydroiodide
SMILESI.I.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O2S.2HI/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H
InChIKeyWGBCIZQUQYKSKB-UHFFFAOYSA-N
MW504.13 g/mol
LogP2.92
Rot. Bonds2

About 4-(4-aminophenyl)sulfonylaniline;dihydroiodide

4-(4-aminophenyl)sulfonylaniline;dihydroiodide (PubChem CID 24833766) has the molecular formula C12H14I2N2O2S and a molecular weight of 504.13 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylaniline;dihydroiodide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylaniline;dihydroiodide
PubChem CID24833766
Molecular FormulaC12H14I2N2O2S
Molecular Weight504.13 g/mol
Exact Mass503.89
IUPAC Name4-(4-aminophenyl)sulfonylaniline;dihydroiodide
SMILESI.I.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2O2S.2HI/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H
InChIKeyWGBCIZQUQYKSKB-UHFFFAOYSA-N
XLogP2.92
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
CID 134105336
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
CID 90135081
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[(4-aminophenyl)sulfonimidoyl]aniline
CID 71513819

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylaniline;dihydroiodide?
The IUPAC name of 4-(4-aminophenyl)sulfonylaniline;dihydroiodide (CID 24833766) is 4-(4-aminophenyl)sulfonylaniline;dihydroiodide.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylaniline;dihydroiodide?
The canonical SMILES for 4-(4-aminophenyl)sulfonylaniline;dihydroiodide is I.I.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylaniline;dihydroiodide?
The InChIKey is WGBCIZQUQYKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.2HI/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H.
What are the key properties of 4-(4-aminophenyl)sulfonylaniline;dihydroiodide?
4-(4-aminophenyl)sulfonylaniline;dihydroiodide has a molecular weight of 504.13 g/mol, XLogP of 2.92, 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;dihydroiodide is sourced from PubChem (CID 24833766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).