N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide

C15H14BrF2NO2S — CID 118030296

IUPACN-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO2S/c1-2-22(20,21)19-13-6-4-10(14(16)9-13)7-11-3-5-12(17)8-15(11)18/h3-6,8-9,19H,2,7H2,1H3
InChIKeyLAWPQWAQVLDAGU-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.08
Rot. Bonds5

About N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide

N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide (PubChem CID 118030296) has the molecular formula C15H14BrF2NO2S and a molecular weight of 390.25 g/mol. Its IUPAC name is N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide
PubChem CID118030296
Molecular FormulaC15H14BrF2NO2S
Molecular Weight390.25 g/mol
Exact Mass388.99
IUPAC NameN-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO2S/c1-2-22(20,21)19-13-6-4-10(14(16)9-13)7-11-3-5-12(17)8-15(11)18/h3-6,8-9,19H,2,7H2,1H3
InChIKeyLAWPQWAQVLDAGU-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
N-(4-fluoro-3-formylphenyl)ethanesulfonamide
CID 58259141
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
methyl 2-bromo-4-(ethylsulfonylamino)benzoate
CID 172609678
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 166594055
N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861751
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide (CID 118030296) is N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Cc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide?
The InChIKey is LAWPQWAQVLDAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2S/c1-2-22(20,21)19-13-6-4-10(14(16)9-13)7-11-3-5-12(17)8-15(11)18/h3-6,8-9,19H,2,7H2,1H3.
What are the key properties of N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide?
N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide has a molecular weight of 390.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 118030296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).