3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide

C13H10Cl2INO2S — CID 4657753

IUPAC3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(I)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2INO2S/c14-10-5-11(15)7-13(6-10)20(18,19)17-8-9-1-3-12(16)4-2-9/h1-7,17H,8H2
InChIKeyVFOUVLKZKWTIAW-UHFFFAOYSA-N
MW442.11 g/mol
LogP4.08
Rot. Bonds4

About 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide

3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide (PubChem CID 4657753) has the molecular formula C13H10Cl2INO2S and a molecular weight of 442.11 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
PubChem CID4657753
Molecular FormulaC13H10Cl2INO2S
Molecular Weight442.11 g/mol
Exact Mass440.89
IUPAC Name3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(I)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2INO2S/c14-10-5-11(15)7-13(6-10)20(18,19)17-8-9-1-3-12(16)4-2-9/h1-7,17H,8H2
InChIKeyVFOUVLKZKWTIAW-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 3822716
3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 35616347
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide (CID 4657753) is 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(I)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide?
The InChIKey is VFOUVLKZKWTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INO2S/c14-10-5-11(15)7-13(6-10)20(18,19)17-8-9-1-3-12(16)4-2-9/h1-7,17H,8H2.
What are the key properties of 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide?
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide has a molecular weight of 442.11 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4657753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).