2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide

C15H16N2O3S2 — CID 2991974

IUPAC2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1
InChIInChI=1S/C15H16N2O3S2/c1-10-6-7-13(9-14(10)15(16)18)22(19,20)17-11-4-3-5-12(8-11)21-2/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyMCJXCQDLWTZOLS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide

2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide (PubChem CID 2991974) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
PubChem CID2991974
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1
InChIInChI=1S/C15H16N2O3S2/c1-10-6-7-13(9-14(10)15(16)18)22(19,20)17-11-4-3-5-12(8-11)21-2/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyMCJXCQDLWTZOLS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
5-[(3-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613978
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
2-hydroxy-5-[[3-(methanesulfonamido)phenyl]sulfamoyl]benzamide
CID 130406205
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide (CID 2991974) is 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide is CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide?
The InChIKey is MCJXCQDLWTZOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-6-7-13(9-14(10)15(16)18)22(19,20)17-11-4-3-5-12(8-11)21-2/h3-9,17H,1-2H3,(H2,16,18).
What are the key properties of 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide?
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2991974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).