N,N-diethyl-2-methylbenzenesulfonamide

C11H17NO2S — CID 19746932

IUPACN,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyFFZRSPIXUVMVMO-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds4

About N,N-diethyl-2-methylbenzenesulfonamide

N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 19746932) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylbenzenesulfonamide
PubChem CID19746932
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyFFZRSPIXUVMVMO-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzenesulfonamide
CID 6924
N-Ethyl-p-toluenesulfonamide
CID 6637
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
N-Ethyl-o-toluenesulfonamide
CID 14110
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
N,N-Diethylbenzenesulfonamide
CID 74367
n,n-Dibutylbenzenesulfonamide
CID 220596
N,N-bis(2-chloroethyl)-p-toluenesulphonamide
CID 96039

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-2-methylbenzenesulfonamide (CID 19746932) is N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is FFZRSPIXUVMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylbenzenesulfonamide?
N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 19746932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).