3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide

C12H8Cl2FIN2O2S — CID 107624597

IUPAC3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F
InChIInChI=1S/C12H8Cl2FIN2O2S/c13-6-1-2-10(8(16)3-6)18-21(19,20)11-5-7(14)4-9(17)12(11)15/h1-5,18H,17H2
InChIKeyTWISLTLCIJNICB-UHFFFAOYSA-N
MW461.08 g/mol
LogP4.12
Rot. Bonds3

About 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide (PubChem CID 107624597) has the molecular formula C12H8Cl2FIN2O2S and a molecular weight of 461.08 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
PubChem CID107624597
Molecular FormulaC12H8Cl2FIN2O2S
Molecular Weight461.08 g/mol
Exact Mass459.87
IUPAC Name3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F
InChIInChI=1S/C12H8Cl2FIN2O2S/c13-6-1-2-10(8(16)3-6)18-21(19,20)11-5-7(14)4-9(17)12(11)15/h1-5,18H,17H2
InChIKeyTWISLTLCIJNICB-UHFFFAOYSA-N
XLogP4.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.08
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide 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

5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide (CID 107624597) is 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is TWISLTLCIJNICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FIN2O2S/c13-6-1-2-10(8(16)3-6)18-21(19,20)11-5-7(14)4-9(17)12(11)15/h1-5,18H,17H2.
What are the key properties of 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 461.08 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107624597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).