N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide

C11H18N2O4S2 — CID 106338116

IUPACN-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-3-13-19(16,17)9-8-12-10-4-6-11(7-5-10)18(2,14)15/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyWQZUZNAOSHLWSF-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.44
Rot. Bonds7

About N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide

N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide (PubChem CID 106338116) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
PubChem CID106338116
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-3-13-19(16,17)9-8-12-10-4-6-11(7-5-10)18(2,14)15/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyWQZUZNAOSHLWSF-UHFFFAOYSA-N
XLogP0.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
4-methylsulfonyl-N-nonylaniline
CID 43129285
N-but-3-ynyl-4-methylsulfonylaniline
CID 63654849
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
2-(3-cyano-4-nitroanilino)-N-ethylethanesulfonamide
CID 106337964
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327
N-(3-methylbut-3-enyl)-4-methylsulfonylaniline
CID 114471944
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide (CID 106338116) is N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide is CCNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide?
The InChIKey is WQZUZNAOSHLWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-3-13-19(16,17)9-8-12-10-4-6-11(7-5-10)18(2,14)15/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide?
N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide is sourced from PubChem (CID 106338116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).