2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C13H6ClF6NO2S — CID 26969725

IUPAC2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H6ClF6NO2S/c14-7-2-1-6(13(18,19)20)5-10(7)24(22,23)21-9-4-3-8(15)11(16)12(9)17/h1-5,21H
InChIKeyFUEMAHPPAACTRN-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.58
Rot. Bonds3

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

2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 26969725) has the molecular formula C13H6ClF6NO2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID26969725
Molecular FormulaC13H6ClF6NO2S
Molecular Weight389.70 g/mol
Exact Mass388.97
IUPAC Name2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H6ClF6NO2S/c14-7-2-1-6(13(18,19)20)5-10(7)24(22,23)21-9-4-3-8(15)11(16)12(9)17/h1-5,21H
InChIKeyFUEMAHPPAACTRN-UHFFFAOYSA-N
XLogP4.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.58
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

2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 26969725) is 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is FUEMAHPPAACTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF6NO2S/c14-7-2-1-6(13(18,19)20)5-10(7)24(22,23)21-9-4-3-8(15)11(16)12(9)17/h1-5,21H.
What are the key properties of 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 26969725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).