N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide

C14H12BrF2NO4S — CID 2798148

IUPACN-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1OC
InChIInChI=1S/C14H12BrF2NO4S/c1-21-12-4-3-9(7-13(12)22-2)23(19,20)18-14-10(15)5-8(16)6-11(14)17/h3-7,18H,1-2H3
InChIKeyUDWPVCWQNXGBRE-UHFFFAOYSA-N
MW408.22 g/mol
LogP3.55
Rot. Bonds5

About N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide

N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2798148) has the molecular formula C14H12BrF2NO4S and a molecular weight of 408.22 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2798148
Molecular FormulaC14H12BrF2NO4S
Molecular Weight408.22 g/mol
Exact Mass406.96
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1OC
InChIInChI=1S/C14H12BrF2NO4S/c1-21-12-4-3-9(7-13(12)22-2)23(19,20)18-14-10(15)5-8(16)6-11(14)17/h3-7,18H,1-2H3
InChIKeyUDWPVCWQNXGBRE-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 2798148) is N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1OC.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UDWPVCWQNXGBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO4S/c1-21-12-4-3-9(7-13(12)22-2)23(19,20)18-14-10(15)5-8(16)6-11(14)17/h3-7,18H,1-2H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 408.22 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2798148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).