5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide

C14H12BrF2NO3S — CID 2488065

IUPAC5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2NO3S/c1-2-21-13-6-3-9(15)7-14(13)22(19,20)18-12-5-4-10(16)8-11(12)17/h3-8,18H,2H2,1H3
InChIKeyIHZPGBOCLWSHIA-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.93
Rot. Bonds5

About 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide

5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide (PubChem CID 2488065) has the molecular formula C14H12BrF2NO3S and a molecular weight of 392.22 g/mol. Its IUPAC name is 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
PubChem CID2488065
Molecular FormulaC14H12BrF2NO3S
Molecular Weight392.22 g/mol
Exact Mass390.97
IUPAC Name5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2NO3S/c1-2-21-13-6-3-9(15)7-14(13)22(19,20)18-12-5-4-10(16)8-11(12)17/h3-8,18H,2H2,1H3
InChIKeyIHZPGBOCLWSHIA-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
N-(2,4-difluorophenyl)-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005723
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005889
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide (CID 2488065) is 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide?
The InChIKey is IHZPGBOCLWSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3S/c1-2-21-13-6-3-9(15)7-14(13)22(19,20)18-12-5-4-10(16)8-11(12)17/h3-8,18H,2H2,1H3.
What are the key properties of 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide?
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide has a molecular weight of 392.22 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2488065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).