N,N-diethyl-4-methylsulfonylaniline

C11H17NO2S — CID 145223146

IUPACN,N-diethyl-4-methylsulfonylaniline
SMILESCCN(CC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)10-6-8-11(9-7-10)15(3,13)14/h6-9H,4-5H2,1-3H3
InChIKeyMHTGQFWHYBZHTI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.94
Rot. Bonds4

About N,N-diethyl-4-methylsulfonylaniline

N,N-diethyl-4-methylsulfonylaniline (PubChem CID 145223146) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,N-diethyl-4-methylsulfonylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-methylsulfonylaniline
PubChem CID145223146
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,N-diethyl-4-methylsulfonylaniline
SMILESCCN(CC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)10-6-8-11(9-7-10)15(3,13)14/h6-9H,4-5H2,1-3H3
InChIKeyMHTGQFWHYBZHTI-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62585681
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CID 14438301
N,N-diethyl-4-(trifluoromethylsulfonyl)aniline
CID 890760
N-(2-chloroethyl)-4-methylsulfonyl-N-propylaniline
CID 55184252
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
potassium 1-(diethylamino)-4-sulfonatosulfanylbenzene
CID 21204713
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
3-N-[4-(diethylamino)phenyl]-1-(4-methylsulfonylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976584
N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline
CID 161411518
4-[2-(4-methylsulfonylphenyl)ethenyl]-N,N-bis(prop-2-enyl)aniline
CID 54297094
N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide
CID 6432220

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylsulfonylaniline?
The IUPAC name of N,N-diethyl-4-methylsulfonylaniline (CID 145223146) is N,N-diethyl-4-methylsulfonylaniline.
What is the SMILES notation for N,N-diethyl-4-methylsulfonylaniline?
The canonical SMILES for N,N-diethyl-4-methylsulfonylaniline is CCN(CC)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-4-methylsulfonylaniline?
The InChIKey is MHTGQFWHYBZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-12(5-2)10-6-8-11(9-7-10)15(3,13)14/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-methylsulfonylaniline?
N,N-diethyl-4-methylsulfonylaniline has a molecular weight of 227.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylsulfonylaniline is sourced from PubChem (CID 145223146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).