N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide

C13H10F3NO3S — CID 7950025

IUPACN-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H10F3NO3S/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H
InChIKeyQXYDYUKFKHHKNC-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 7950025) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
PubChem CID7950025
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H10F3NO3S/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H
InChIKeyQXYDYUKFKHHKNC-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 37312010
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
5-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030466
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
N-[2-(difluoromethoxy)phenyl]-3-hydroxybenzotriazole-5-sulfonamide
CID 2123020
N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
CID 56654455

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide (CID 7950025) is N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is QXYDYUKFKHHKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 7950025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).