N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide

C17H19ClFNO2S2 — CID 1480866

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)SCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO2S2/c1-17(2,23-11-13-3-5-14(18)6-4-13)12-20-24(21,22)16-9-7-15(19)8-10-16/h3-10,20H,11-12H2,1-2H3
InChIKeyLMCZJKTYTRKZLL-UHFFFAOYSA-N
MW387.93 g/mol
LogP4.47
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide

N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide (PubChem CID 1480866) has the molecular formula C17H19ClFNO2S2 and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide
PubChem CID1480866
Molecular FormulaC17H19ClFNO2S2
Molecular Weight387.93 g/mol
Exact Mass387.05
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)SCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO2S2/c1-17(2,23-11-13-3-5-14(18)6-4-13)12-20-24(21,22)16-9-7-15(19)8-10-16/h3-10,20H,11-12H2,1-2H3
InChIKeyLMCZJKTYTRKZLL-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide (CID 1480866) is N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(F)cc1)SCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide?
The InChIKey is LMCZJKTYTRKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2S2/c1-17(2,23-11-13-3-5-14(18)6-4-13)12-20-24(21,22)16-9-7-15(19)8-10-16/h3-10,20H,11-12H2,1-2H3.
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide has a molecular weight of 387.93 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1480866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).