N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide

C13H10Cl2INO2S — CID 3717692

IUPACN-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C13H10Cl2INO2S/c14-10-5-9(6-11(15)7-10)8-17-20(18,19)13-3-1-12(16)2-4-13/h1-7,17H,8H2
InChIKeyQIJAZARPJHNLPH-UHFFFAOYSA-N
MW442.11 g/mol
LogP4.08
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide

N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide (PubChem CID 3717692) has the molecular formula C13H10Cl2INO2S and a molecular weight of 442.11 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
PubChem CID3717692
Molecular FormulaC13H10Cl2INO2S
Molecular Weight442.11 g/mol
Exact Mass440.89
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C13H10Cl2INO2S/c14-10-5-9(6-11(15)7-10)8-17-20(18,19)13-3-1-12(16)2-4-13/h1-7,17H,8H2
InChIKeyQIJAZARPJHNLPH-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

3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide (CID 3717692) is N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide is O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(I)cc1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide?
The InChIKey is QIJAZARPJHNLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INO2S/c14-10-5-9(6-11(15)7-10)8-17-20(18,19)13-3-1-12(16)2-4-13/h1-7,17H,8H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide?
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide 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 N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 3717692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).