2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C12H6F5NO2S — CID 9235627

IUPAC2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(F)ccc1F
InChIInChI=1S/C12H6F5NO2S/c13-6-1-2-7(14)10(5-6)21(19,20)18-9-4-3-8(15)11(16)12(9)17/h1-5,18H
InChIKeyUGTLOSQJWUANTF-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.18
Rot. Bonds3

About 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide

2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 9235627) has the molecular formula C12H6F5NO2S and a molecular weight of 323.24 g/mol. Its IUPAC name is 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID9235627
Molecular FormulaC12H6F5NO2S
Molecular Weight323.24 g/mol
Exact Mass323.00
IUPAC Name2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(F)ccc1F
InChIInChI=1S/C12H6F5NO2S/c13-6-1-2-7(14)10(5-6)21(19,20)18-9-4-3-8(15)11(16)12(9)17/h1-5,18H
InChIKeyUGTLOSQJWUANTF-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 88922436
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 9235627) is 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is UGTLOSQJWUANTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO2S/c13-6-1-2-7(14)10(5-6)21(19,20)18-9-4-3-8(15)11(16)12(9)17/h1-5,18H.
What are the key properties of 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 323.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 9235627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).