N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide

C13H21NO3S — CID 2284278

IUPACN,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-9-12(17-5)10(3)8-11(13)4/h8-9H,6-7H2,1-5H3
InChIKeyQAWRILUHGOGSRD-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.34
Rot. Bonds5

About N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide

N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide (PubChem CID 2284278) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
PubChem CID2284278
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-9-12(17-5)10(3)8-11(13)4/h8-9H,6-7H2,1-5H3
InChIKeyQAWRILUHGOGSRD-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
N-[4-(diethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 14895987
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798
N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide (CID 2284278) is N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(OC)c(C)cc1C.
What is the InChIKey of N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is QAWRILUHGOGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-9-12(17-5)10(3)8-11(13)4/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2284278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).