2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide

C14H10Cl3F2NO3S — CID 19684098

IUPAC2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl3F2NO3S/c1-7-2-3-12(23-14(18)19)11(4-7)20-24(21,22)13-6-9(16)8(15)5-10(13)17/h2-6,14,20H,1H3
InChIKeyFKFLXELUPGFTSQ-UHFFFAOYSA-N
MW416.66 g/mol
LogP5.36
Rot. Bonds5

About 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide

2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide (PubChem CID 19684098) has the molecular formula C14H10Cl3F2NO3S and a molecular weight of 416.66 g/mol. Its IUPAC name is 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
PubChem CID19684098
Molecular FormulaC14H10Cl3F2NO3S
Molecular Weight416.66 g/mol
Exact Mass414.94
IUPAC Name2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl3F2NO3S/c1-7-2-3-12(23-14(18)19)11(4-7)20-24(21,22)13-6-9(16)8(15)5-10(13)17/h2-6,14,20H,1H3
InChIKeyFKFLXELUPGFTSQ-UHFFFAOYSA-N
XLogP5.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19684084
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
CID 21357756
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide (CID 19684098) is 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide is Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The InChIKey is FKFLXELUPGFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3F2NO3S/c1-7-2-3-12(23-14(18)19)11(4-7)20-24(21,22)13-6-9(16)8(15)5-10(13)17/h2-6,14,20H,1H3.
What are the key properties of 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide has a molecular weight of 416.66 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 19684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).