4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C14H14BrFN2O2S — CID 107650090

IUPAC4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyDVLOZERNHFKIGG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.11
Rot. Bonds5

About 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 107650090) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID107650090
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyDVLOZERNHFKIGG-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828953
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 107650090) is 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is DVLOZERNHFKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 107650090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).