1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide

C15H17NO4S2 — CID 110779468

IUPAC1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H17NO4S2/c1-12-5-3-6-13(9-12)11-22(19,20)16-14-7-4-8-15(10-14)21(2,17)18/h3-10,16H,11H2,1-2H3
InChIKeyUGJPOJUJNWOIOU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds5

About 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide

1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide (PubChem CID 110779468) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
PubChem CID110779468
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H17NO4S2/c1-12-5-3-6-13(9-12)11-22(19,20)16-14-7-4-8-15(10-14)21(2,17)18/h3-10,16H,11H2,1-2H3
InChIKeyUGJPOJUJNWOIOU-UHFFFAOYSA-N
XLogP2.34
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[3-[(3-methylphenyl)methylsulfonylamino]phenyl]propanoic acid
CID 167927121
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110728958
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 100683139
1-methyl-3-[4-[(3-methylsulfonylphenyl)methylsulfonyl]phenyl]benzene
CID 58378906
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide (CID 110779468) is 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide?
The InChIKey is UGJPOJUJNWOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-12-5-3-6-13(9-12)11-22(19,20)16-14-7-4-8-15(10-14)21(2,17)18/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide?
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 110779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).