2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C24H16F6N2O4S2 — CID 172801513

IUPAC2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N2O4S2/c25-23(26,27)17-9-3-5-11-21(17)37(33,34)31-19-13-14-20(16-8-2-1-7-15(16)19)32-38(35,36)22-12-6-4-10-18(22)24(28,29)30/h1-14,31-32H
InChIKeyQXVLLFBXRXDIBH-UHFFFAOYSA-N
MW574.52 g/mol
LogP6.48
Rot. Bonds6

About 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide

2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 172801513) has the molecular formula C24H16F6N2O4S2 and a molecular weight of 574.52 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID172801513
Molecular FormulaC24H16F6N2O4S2
Molecular Weight574.52 g/mol
Exact Mass574.05
IUPAC Name2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N2O4S2/c25-23(26,27)17-9-3-5-11-21(17)37(33,34)31-19-13-14-20(16-8-2-1-7-15(16)19)32-38(35,36)22-12-6-4-10-18(22)24(28,29)30/h1-14,31-32H
InChIKeyQXVLLFBXRXDIBH-UHFFFAOYSA-N
XLogP6.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.52
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 172801513) is 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is QXVLLFBXRXDIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O4S2/c25-23(26,27)17-9-3-5-11-21(17)37(33,34)31-19-13-14-20(16-8-2-1-7-15(16)19)32-38(35,36)22-12-6-4-10-18(22)24(28,29)30/h1-14,31-32H.
What are the key properties of 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 574.52 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 172801513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).