N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide

C16H17F2NO2S2 — CID 2472898

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H17F2NO2S2/c1-11(2)12-3-9-15(10-4-12)23(20,21)19-13-5-7-14(8-6-13)22-16(17)18/h3-11,16,19H,1-2H3
InChIKeyBBYXGTNYDLKMHP-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.93
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 2472898) has the molecular formula C16H17F2NO2S2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID2472898
Molecular FormulaC16H17F2NO2S2
Molecular Weight357.45 g/mol
Exact Mass357.07
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H17F2NO2S2/c1-11(2)12-3-9-15(10-4-12)23(20,21)19-13-5-7-14(8-6-13)22-16(17)18/h3-11,16,19H,1-2H3
InChIKeyBBYXGTNYDLKMHP-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.93
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]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 2472898) is N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is BBYXGTNYDLKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S2/c1-11(2)12-3-9-15(10-4-12)23(20,21)19-13-5-7-14(8-6-13)22-16(17)18/h3-11,16,19H,1-2H3.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2472898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).