N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide

C14H14INO3S — CID 47104373

IUPACN-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C14H14INO3S/c1-10-9-11(15)7-8-12(10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3
InChIKeyMHCOOBVWQJTRGR-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.41
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide

N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 47104373) has the molecular formula C14H14INO3S and a molecular weight of 403.24 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
PubChem CID47104373
Molecular FormulaC14H14INO3S
Molecular Weight403.24 g/mol
Exact Mass402.97
IUPAC NameN-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C14H14INO3S/c1-10-9-11(15)7-8-12(10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3
InChIKeyMHCOOBVWQJTRGR-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 52575608
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide (CID 47104373) is N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is MHCOOBVWQJTRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S/c1-10-9-11(15)7-8-12(10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3.
What are the key properties of N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide?
N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 403.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47104373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).