N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C14H10F5NO2S2 — CID 2445085

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F5NO2S2/c15-13(16)23-10-7-5-9(6-8-10)20-24(21,22)12-4-2-1-3-11(12)14(17,18)19/h1-8,13,20H
InChIKeyYXPYJWURRMQSQW-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.82
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2445085) has the molecular formula C14H10F5NO2S2 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2445085
Molecular FormulaC14H10F5NO2S2
Molecular Weight383.36 g/mol
Exact Mass383.01
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F5NO2S2/c15-13(16)23-10-7-5-9(6-8-10)20-24(21,22)12-4-2-1-3-11(12)14(17,18)19/h1-8,13,20H
InChIKeyYXPYJWURRMQSQW-UHFFFAOYSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 2445085) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YXPYJWURRMQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S2/c15-13(16)23-10-7-5-9(6-8-10)20-24(21,22)12-4-2-1-3-11(12)14(17,18)19/h1-8,13,20H.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 383.36 g/mol, XLogP of 4.82, 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]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2445085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).