N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide

C18H24N2O4S2 — CID 113069089

IUPACN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C18H24N2O4S2/c1-14-8-5-6-11-17(14)26(23,24)19-12-13-20(25(4,21)22)18-15(2)9-7-10-16(18)3/h5-11,19H,12-13H2,1-4H3
InChIKeyQMKLYOCZOOYLNJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide

N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide (PubChem CID 113069089) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
PubChem CID113069089
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C18H24N2O4S2/c1-14-8-5-6-11-17(14)26(23,24)19-12-13-20(25(4,21)22)18-15(2)9-7-10-16(18)3/h5-11,19H,12-13H2,1-4H3
InChIKeyQMKLYOCZOOYLNJ-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
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
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide (CID 113069089) is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is QMKLYOCZOOYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14-8-5-6-11-17(14)26(23,24)19-12-13-20(25(4,21)22)18-15(2)9-7-10-16(18)3/h5-11,19H,12-13H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113069089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).