2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide

C10H15NO3S2 — CID 115671966

IUPAC2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H15NO3S2/c1-9-5-3-4-6-10(9)16(13,14)11-7-8-15(2)12/h3-6,11H,7-8H2,1-2H3
InChIKeyUBTZPXJURUFNIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.65
Rot. Bonds5

About 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide

2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 115671966) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID115671966
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H15NO3S2/c1-9-5-3-4-6-10(9)16(13,14)11-7-8-15(2)12/h3-6,11H,7-8H2,1-2H3
InChIKeyUBTZPXJURUFNIY-UHFFFAOYSA-N
XLogP0.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 115671966) is 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCS(C)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is UBTZPXJURUFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-9-5-3-4-6-10(9)16(13,14)11-7-8-15(2)12/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 261.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 115671966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).