2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H7F6NO3S — CID 4846605

IUPAC2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F6NO3S/c14-9-5-6-10(12(16)11(9)15)24(21,22)20-7-1-3-8(4-2-7)23-13(17,18)19/h1-6,20H
InChIKeyMDQGIOODYPOUTG-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.80
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 4846605) has the molecular formula C13H7F6NO3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID4846605
Molecular FormulaC13H7F6NO3S
Molecular Weight371.26 g/mol
Exact Mass371.01
IUPAC Name2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F6NO3S/c14-9-5-6-10(12(16)11(9)15)24(21,22)20-7-1-3-8(4-2-7)23-13(17,18)19/h1-6,20H
InChIKeyMDQGIOODYPOUTG-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 24602915
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 4846605) is 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is MDQGIOODYPOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO3S/c14-9-5-6-10(12(16)11(9)15)24(21,22)20-7-1-3-8(4-2-7)23-13(17,18)19/h1-6,20H.
What are the key properties of 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 4846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).