N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide

C18H22FNO3S2 — CID 1487512

IUPACN-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)SCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO3S2/c1-18(2,24-12-14-4-6-15(19)7-5-14)13-20-25(21,22)17-10-8-16(23-3)9-11-17/h4-11,20H,12-13H2,1-3H3
InChIKeyUNVKRHXUXICLQB-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.82
Rot. Bonds8

About N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide

N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide (PubChem CID 1487512) has the molecular formula C18H22FNO3S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide
PubChem CID1487512
Molecular FormulaC18H22FNO3S2
Molecular Weight383.51 g/mol
Exact Mass383.10
IUPAC NameN-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)SCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO3S2/c1-18(2,24-12-14-4-6-15(19)7-5-14)13-20-25(21,22)17-10-8-16(23-3)9-11-17/h4-11,20H,12-13H2,1-3H3
InChIKeyUNVKRHXUXICLQB-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide (CID 1487512) is N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)SCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide?
The InChIKey is UNVKRHXUXICLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S2/c1-18(2,24-12-14-4-6-15(19)7-5-14)13-20-25(21,22)17-10-8-16(23-3)9-11-17/h4-11,20H,12-13H2,1-3H3.
What are the key properties of N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide?
N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1487512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).