2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide

C14H12BrCl2NO4S — CID 112773648

IUPAC2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C14H12BrCl2NO4S/c1-21-11-6-8(15)13(7-12(11)22-2)23(19,20)18-14-9(16)4-3-5-10(14)17/h3-7,18H,1-2H3
InChIKeyUELYEXSCHRGSNH-UHFFFAOYSA-N
MW441.13 g/mol
LogP4.57
Rot. Bonds5

About 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide

2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 112773648) has the molecular formula C14H12BrCl2NO4S and a molecular weight of 441.13 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
PubChem CID112773648
Molecular FormulaC14H12BrCl2NO4S
Molecular Weight441.13 g/mol
Exact Mass438.90
IUPAC Name2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C14H12BrCl2NO4S/c1-21-11-6-8(15)13(7-12(11)22-2)23(19,20)18-14-9(16)4-3-5-10(14)17/h3-7,18H,1-2H3
InChIKeyUELYEXSCHRGSNH-UHFFFAOYSA-N
XLogP4.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.13
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
2-bromo-4,5-dimethoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55895758

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide (CID 112773648) is 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is UELYEXSCHRGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO4S/c1-21-11-6-8(15)13(7-12(11)22-2)23(19,20)18-14-9(16)4-3-5-10(14)17/h3-7,18H,1-2H3.
What are the key properties of 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 441.13 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112773648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).