N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C15H9F8NO2S2 — CID 3508970

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F8NO2S2/c16-13(17)27-11-3-1-10(2-4-11)24-28(25,26)12-6-8(14(18,19)20)5-9(7-12)15(21,22)23/h1-7,13,24H
InChIKeyOTLITUGGYQBWKI-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.84
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 3508970) has the molecular formula C15H9F8NO2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID3508970
Molecular FormulaC15H9F8NO2S2
Molecular Weight451.36 g/mol
Exact Mass450.99
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F8NO2S2/c16-13(17)27-11-3-1-10(2-4-11)24-28(25,26)12-6-8(14(18,19)20)5-9(7-12)15(21,22)23/h1-7,13,24H
InChIKeyOTLITUGGYQBWKI-UHFFFAOYSA-N
XLogP5.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 1051878
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586520
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
3-(benzamidocarbamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 46651951
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2780299

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 3508970) is N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(SC(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is OTLITUGGYQBWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F8NO2S2/c16-13(17)27-11-3-1-10(2-4-11)24-28(25,26)12-6-8(14(18,19)20)5-9(7-12)15(21,22)23/h1-7,13,24H.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 451.36 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3508970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).