3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide

C15H16N2O3S2 — CID 9035038

IUPAC3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H16N2O3S2/c1-21-10-11-3-2-4-12(9-11)15(18)17-13-5-7-14(8-6-13)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyYVYVLOZTZWOBGX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.45
Rot. Bonds5

About 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide

3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 9035038) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID9035038
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H16N2O3S2/c1-21-10-11-3-2-4-12(9-11)15(18)17-13-5-7-14(8-6-13)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyYVYVLOZTZWOBGX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfanylmethyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 40809207
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
CID 9328413
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide (CID 9035038) is 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide is CSCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is YVYVLOZTZWOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-21-10-11-3-2-4-12(9-11)15(18)17-13-5-7-14(8-6-13)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide?
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 9035038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).