4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H12BrF2NO2S — CID 31818108

IUPAC4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2NO2S/c1-18(9-10-2-5-12(16)8-14(10)17)21(19,20)13-6-3-11(15)4-7-13/h2-8H,9H2,1H3
InChIKeyUBAKEVMGVFODMI-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.55
Rot. Bonds4

About 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 31818108) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID31818108
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2NO2S/c1-18(9-10-2-5-12(16)8-14(10)17)21(19,20)13-6-3-11(15)4-7-13/h2-8H,9H2,1H3
InChIKeyUBAKEVMGVFODMI-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 31818139
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-nitrobenzenesulfonamide
CID 31818110
1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60950172
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 47096592
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 31818327
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 31818108) is 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is UBAKEVMGVFODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-18(9-10-2-5-12(16)8-14(10)17)21(19,20)13-6-3-11(15)4-7-13/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 31818108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).