N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide

C15H15F2NO2S2 — CID 2542281

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(C)c1
InChIInChI=1S/C15H15F2NO2S2/c1-10-3-8-14(11(2)9-10)22(19,20)18-12-4-6-13(7-5-12)21-15(16)17/h3-9,15,18H,1-2H3
InChIKeyRQWNJQHMGWYMTF-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 2542281) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID2542281
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(C)c1
InChIInChI=1S/C15H15F2NO2S2/c1-10-3-8-14(11(2)9-10)22(19,20)18-12-4-6-13(7-5-12)21-15(16)17/h3-9,15,18H,1-2H3
InChIKeyRQWNJQHMGWYMTF-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.42
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]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide (CID 2542281) is N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(C)c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is RQWNJQHMGWYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c1-10-3-8-14(11(2)9-10)22(19,20)18-12-4-6-13(7-5-12)21-15(16)17/h3-9,15,18H,1-2H3.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 343.42 g/mol, XLogP of 4.42, 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]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2542281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).