4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide

C13H9BrCl2INO2S — CID 60640804

IUPAC4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H9BrCl2INO2S/c1-7-4-9(17)2-3-12(7)18-21(19,20)13-10(15)5-8(14)6-11(13)16/h2-6,18H,1H3
InChIKeyVQWZANUYTRTDJH-UHFFFAOYSA-N
MW521.00 g/mol
LogP5.47
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide (PubChem CID 60640804) has the molecular formula C13H9BrCl2INO2S and a molecular weight of 521.00 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
PubChem CID60640804
Molecular FormulaC13H9BrCl2INO2S
Molecular Weight521.00 g/mol
Exact Mass518.80
IUPAC Name4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H9BrCl2INO2S/c1-7-4-9(17)2-3-12(7)18-21(19,20)13-10(15)5-8(14)6-11(13)16/h2-6,18H,1H3
InChIKeyVQWZANUYTRTDJH-UHFFFAOYSA-N
XLogP5.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.00
LogP ≤ 55.47
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

4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide (CID 60640804) is 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The InChIKey is VQWZANUYTRTDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2INO2S/c1-7-4-9(17)2-3-12(7)18-21(19,20)13-10(15)5-8(14)6-11(13)16/h2-6,18H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide has a molecular weight of 521.00 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 60640804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).