N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide

C13H8F5NO3S — CID 2542290

IUPACN-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F5NO3S/c14-9-5-6-10(12(16)11(9)15)23(20,21)19-7-1-3-8(4-2-7)22-13(17)18/h1-6,13,19H
InChIKeyHMBMODMEZPCGPF-UHFFFAOYSA-N
MW353.27 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide

N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 2542290) has the molecular formula C13H8F5NO3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID2542290
Molecular FormulaC13H8F5NO3S
Molecular Weight353.27 g/mol
Exact Mass353.01
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F5NO3S/c14-9-5-6-10(12(16)11(9)15)23(20,21)19-7-1-3-8(4-2-7)22-13(17)18/h1-6,13,19H
InChIKeyHMBMODMEZPCGPF-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide 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

2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 26980608
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 24602915
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide (CID 2542290) is N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is HMBMODMEZPCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO3S/c14-9-5-6-10(12(16)11(9)15)23(20,21)19-7-1-3-8(4-2-7)22-13(17)18/h1-6,13,19H.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide?
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 2542290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).