N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide

C13H10Cl2INO2S — CID 169369916

IUPACN-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2I)cc1
InChIInChI=1S/C13H10Cl2INO2S/c1-8-2-4-10(5-3-8)20(18,19)17-13-11(15)6-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyDKZKZQPLYFPVGB-UHFFFAOYSA-N
MW442.11 g/mol
LogP4.71
Rot. Bonds3

About N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide

N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide (PubChem CID 169369916) has the molecular formula C13H10Cl2INO2S and a molecular weight of 442.11 g/mol. Its IUPAC name is N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
PubChem CID169369916
Molecular FormulaC13H10Cl2INO2S
Molecular Weight442.11 g/mol
Exact Mass440.89
IUPAC NameN-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2I)cc1
InChIInChI=1S/C13H10Cl2INO2S/c1-8-2-4-10(5-3-8)20(18,19)17-13-11(15)6-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyDKZKZQPLYFPVGB-UHFFFAOYSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 54.71
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-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
N-(2,4-dibromo-6-chloro-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 169371289
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide (CID 169369916) is N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2I)cc1.
What is the InChIKey of N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide?
The InChIKey is DKZKZQPLYFPVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INO2S/c1-8-2-4-10(5-3-8)20(18,19)17-13-11(15)6-9(14)7-12(13)16/h2-7,17H,1H3.
What are the key properties of N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide?
N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide has a molecular weight of 442.11 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169369916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).