4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide

C13H10ClFINO2S — CID 47104375

IUPAC4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFINO2S/c1-8-6-10(16)3-4-12(8)17-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,17H,1H3
InChIKeyVSFGPGQOWOATES-UHFFFAOYSA-N
MW425.65 g/mol
LogP4.19
Rot. Bonds3

About 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide

4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide (PubChem CID 47104375) has the molecular formula C13H10ClFINO2S and a molecular weight of 425.65 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
PubChem CID47104375
Molecular FormulaC13H10ClFINO2S
Molecular Weight425.65 g/mol
Exact Mass424.91
IUPAC Name4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFINO2S/c1-8-6-10(16)3-4-12(8)17-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,17H,1H3
InChIKeyVSFGPGQOWOATES-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.19
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

2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 52575608
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide (CID 47104375) is 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The InChIKey is VSFGPGQOWOATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFINO2S/c1-8-6-10(16)3-4-12(8)17-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,17H,1H3.
What are the key properties of 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide has a molecular weight of 425.65 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 47104375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).