2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C15H16N2O3S2 — CID 2572183

IUPAC2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-21-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(9-7-11)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOGKXCGCLNDZNSR-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.99
Rot. Bonds5

About 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide

2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2572183) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2572183
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-21-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(9-7-11)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOGKXCGCLNDZNSR-UHFFFAOYSA-N
XLogP1.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2572183) is 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide is CSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is OGKXCGCLNDZNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-21-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(9-7-11)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2572183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).