N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide

C13H9ClF3NO2S — CID 5239900

IUPACN-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccccc1F
InChIInChI=1S/C13H9ClF3NO2S/c14-9-5-6-10(15)8(13(9)17)7-18-21(19,20)12-4-2-1-3-11(12)16/h1-6,18H,7H2
InChIKeyAQCLFZLHCLWXRQ-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.24
Rot. Bonds4

About N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide

N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 5239900) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
PubChem CID5239900
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccccc1F
InChIInChI=1S/C13H9ClF3NO2S/c14-9-5-6-10(15)8(13(9)17)7-18-21(19,20)12-4-2-1-3-11(12)16/h1-6,18H,7H2
InChIKeyAQCLFZLHCLWXRQ-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-2,6-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3773427
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
CID 3710216
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
CID 3451812
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
N-[(2-bromophenyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088278

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide (CID 5239900) is N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide is O=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccccc1F.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is AQCLFZLHCLWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-9-5-6-10(15)8(13(9)17)7-18-21(19,20)12-4-2-1-3-11(12)16/h1-6,18H,7H2.
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide?
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 335.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 5239900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).