2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C14H14F2N2O2S — CID 43606132

IUPAC2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-17-9-10-5-2-3-8-13(10)18-21(19,20)14-11(15)6-4-7-12(14)16/h2-8,17-18H,9H2,1H3
InChIKeyQRDQKYCAEUVRFL-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.48
Rot. Bonds5

About 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 43606132) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID43606132
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-17-9-10-5-2-3-8-13(10)18-21(19,20)14-11(15)6-4-7-12(14)16/h2-8,17-18H,9H2,1H3
InChIKeyQRDQKYCAEUVRFL-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
CID 55068374
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 61076846
N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
N-methyl-2-(methylaminomethyl)aniline
CID 576504

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 43606132) is 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is QRDQKYCAEUVRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-17-9-10-5-2-3-8-13(10)18-21(19,20)14-11(15)6-4-7-12(14)16/h2-8,17-18H,9H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43606132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).