N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide

C14H12INO3S — CID 132509795

IUPACN-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(I)c2C=O)cc1
InChIInChI=1S/C14H12INO3S/c1-10-5-7-11(8-6-10)20(18,19)16-14-4-2-3-13(15)12(14)9-17/h2-9,16H,1H3
InChIKeyWEIZGVDUGXHFAU-UHFFFAOYSA-N
MW401.23 g/mol
LogP3.21
Rot. Bonds4

About N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide

N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide (PubChem CID 132509795) has the molecular formula C14H12INO3S and a molecular weight of 401.23 g/mol. Its IUPAC name is N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide
PubChem CID132509795
Molecular FormulaC14H12INO3S
Molecular Weight401.23 g/mol
Exact Mass400.96
IUPAC NameN-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(I)c2C=O)cc1
InChIInChI=1S/C14H12INO3S/c1-10-5-7-11(8-6-10)20(18,19)16-14-4-2-3-13(15)12(14)9-17/h2-9,16H,1H3
InChIKeyWEIZGVDUGXHFAU-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
N-(3-fluoro-2-formylphenyl)-4-methylbenzenesulfonamide
CID 132509796
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(2-iodophenyl)benzenesulfonamide
CID 632219
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide (CID 132509795) is N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(I)c2C=O)cc1.
What is the InChIKey of N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide?
The InChIKey is WEIZGVDUGXHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO3S/c1-10-5-7-11(8-6-10)20(18,19)16-14-4-2-3-13(15)12(14)9-17/h2-9,16H,1H3.
What are the key properties of N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide?
N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide has a molecular weight of 401.23 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 132509795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).