2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide

C14H16IN3O2S — CID 107115669

IUPAC2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2ccc(I)cc2)c1N
InChIInChI=1S/C14H16IN3O2S/c1-18(2)21(19,20)13-5-3-4-12(14(13)16)17-11-8-6-10(15)7-9-11/h3-9,17H,16H2,1-2H3
InChIKeyBGJDRXWIMBEIEW-UHFFFAOYSA-N
MW417.27 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107115669) has the molecular formula C14H16IN3O2S and a molecular weight of 417.27 g/mol. Its IUPAC name is 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
PubChem CID107115669
Molecular FormulaC14H16IN3O2S
Molecular Weight417.27 g/mol
Exact Mass417.00
IUPAC Name2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2ccc(I)cc2)c1N
InChIInChI=1S/C14H16IN3O2S/c1-18(2)21(19,20)13-5-3-4-12(14(13)16)17-11-8-6-10(15)7-9-11/h3-9,17H,16H2,1-2H3
InChIKeyBGJDRXWIMBEIEW-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 52.87
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'}

Analyze 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 107115678
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
1-N-(3,4-dimethylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003242
2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 107116325
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide (CID 107115669) is 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2ccc(I)cc2)c1N.
What is the InChIKey of 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is BGJDRXWIMBEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2S/c1-18(2)21(19,20)13-5-3-4-12(14(13)16)17-11-8-6-10(15)7-9-11/h3-9,17H,16H2,1-2H3.
What are the key properties of 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 417.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107115669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).