4-amino-3-(4-iodoanilino)benzenesulfonamide

C12H12IN3O2S — CID 82907832

IUPAC4-amino-3-(4-iodoanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccc(I)cc1
InChIInChI=1S/C12H12IN3O2S/c13-8-1-3-9(4-2-8)16-12-7-10(19(15,17)18)5-6-11(12)14/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyMJBGISGXZZZFTG-UHFFFAOYSA-N
MW389.22 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-3-(4-iodoanilino)benzenesulfonamide

4-amino-3-(4-iodoanilino)benzenesulfonamide (PubChem CID 82907832) has the molecular formula C12H12IN3O2S and a molecular weight of 389.22 g/mol. Its IUPAC name is 4-amino-3-(4-iodoanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-iodoanilino)benzenesulfonamide
PubChem CID82907832
Molecular FormulaC12H12IN3O2S
Molecular Weight389.22 g/mol
Exact Mass388.97
IUPAC Name4-amino-3-(4-iodoanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccc(I)cc1
InChIInChI=1S/C12H12IN3O2S/c13-8-1-3-9(4-2-8)16-12-7-10(19(15,17)18)5-6-11(12)14/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyMJBGISGXZZZFTG-UHFFFAOYSA-N
XLogP2.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 52.26
H-Bond Donors ≤ 53
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-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-iodo-1-N-(4-methylsulfonylphenyl)benzene-1,2-diamine
CID 66066064
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-iodoanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-iodoanilino)benzenesulfonamide (CID 82907832) is 4-amino-3-(4-iodoanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-iodoanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-iodoanilino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Nc1ccc(I)cc1.
What is the InChIKey of 4-amino-3-(4-iodoanilino)benzenesulfonamide?
The InChIKey is MJBGISGXZZZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2S/c13-8-1-3-9(4-2-8)16-12-7-10(19(15,17)18)5-6-11(12)14/h1-7,16H,14H2,(H2,15,17,18).
What are the key properties of 4-amino-3-(4-iodoanilino)benzenesulfonamide?
4-amino-3-(4-iodoanilino)benzenesulfonamide has a molecular weight of 389.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-iodoanilino)benzenesulfonamide is sourced from PubChem (CID 82907832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).