2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide

C16H20N2O4S2 — CID 113068516

IUPAC2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S2/c1-14-8-6-7-11-16(14)24(21,22)17-12-13-18(23(2,19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3
InChIKeyICVSNSUCHRSLMT-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.74
Rot. Bonds7

About 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide

2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide (PubChem CID 113068516) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
PubChem CID113068516
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S2/c1-14-8-6-7-11-16(14)24(21,22)17-12-13-18(23(2,19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3
InChIKeyICVSNSUCHRSLMT-UHFFFAOYSA-N
XLogP1.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113070411
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide (CID 113068516) is 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The InChIKey is ICVSNSUCHRSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-14-8-6-7-11-16(14)24(21,22)17-12-13-18(23(2,19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 113068516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).