N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide

C13H21NO3S — CID 60754894

IUPACN,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-10(3)8-12(17-5)9-11(13)4/h8-9H,6-7H2,1-5H3
InChIKeyXSFLHPRMRAGYDC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.34
Rot. Bonds5

About N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide

N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 60754894) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID60754894
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-10(3)8-12(17-5)9-11(13)4/h8-9H,6-7H2,1-5H3
InChIKeyXSFLHPRMRAGYDC-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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 60754894) is N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is XSFLHPRMRAGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-14(7-2)18(15,16)13-10(3)8-12(17-5)9-11(13)4/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
N,N-diethyl-4-methoxy-2,6-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-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 60754894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).