N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H7Cl3F3NO3S — CID 17154276

IUPACN-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7Cl3F3NO3S/c14-9-5-11(16)12(6-10(9)15)20-24(21,22)8-3-1-7(2-4-8)23-13(17,18)19/h1-6,20H
InChIKeyDMRNIOAPQKROPB-UHFFFAOYSA-N
MW420.62 g/mol
LogP5.35
Rot. Bonds4

About N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154276) has the molecular formula C13H7Cl3F3NO3S and a molecular weight of 420.62 g/mol. Its IUPAC name is N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154276
Molecular FormulaC13H7Cl3F3NO3S
Molecular Weight420.62 g/mol
Exact Mass418.92
IUPAC NameN-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7Cl3F3NO3S/c14-9-5-11(16)12(6-10(9)15)20-24(21,22)8-3-1-7(2-4-8)23-13(17,18)19/h1-6,20H
InChIKeyDMRNIOAPQKROPB-UHFFFAOYSA-N
XLogP5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 55.35
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-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17154276) is N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DMRNIOAPQKROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO3S/c14-9-5-11(16)12(6-10(9)15)20-24(21,22)8-3-1-7(2-4-8)23-13(17,18)19/h1-6,20H.
What are the key properties of N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 420.62 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).