2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide

C15H14ClFN2O3S2 — CID 55980561

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-1-2-10(4-11)8-23-9-15(20)19-13-5-12(17)6-14(7-13)24(18,21)22/h1-7H,8-9H2,(H,19,20)(H2,18,21,22)
InChIKeyXGHVXAFDMRXUBS-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide (PubChem CID 55980561) has the molecular formula C15H14ClFN2O3S2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide
PubChem CID55980561
Molecular FormulaC15H14ClFN2O3S2
Molecular Weight388.87 g/mol
Exact Mass388.01
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-1-2-10(4-11)8-23-9-15(20)19-13-5-12(17)6-14(7-13)24(18,21)22/h1-7H,8-9H2,(H,19,20)(H2,18,21,22)
InChIKeyXGHVXAFDMRXUBS-UHFFFAOYSA-N
XLogP3.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide (CID 55980561) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cc(F)cc(NC(=O)CSCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide?
The InChIKey is XGHVXAFDMRXUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S2/c16-11-3-1-2-10(4-11)8-23-9-15(20)19-13-5-12(17)6-14(7-13)24(18,21)22/h1-7H,8-9H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide has a molecular weight of 388.87 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 55980561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).