N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide

C13H22N2O2S — CID 107328499

IUPACN,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C13H22N2O2S/c1-6-15(7-2)18(16,17)13-10(3)8-12(14-5)9-11(13)4/h8-9,14H,6-7H2,1-5H3
InChIKeyGBPWVLZIZLZZIL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds5

About N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide

N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 107328499) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID107328499
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C13H22N2O2S/c1-6-15(7-2)18(16,17)13-10(3)8-12(14-5)9-11(13)4/h8-9,14H,6-7H2,1-5H3
InChIKeyGBPWVLZIZLZZIL-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101
N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107328951
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107327365
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115755468
3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62826868
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide (CID 107328499) is N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide is CCN(CC)S(=O)(=O)c1c(C)cc(NC)cc1C.
What is the InChIKey of N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is GBPWVLZIZLZZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-6-15(7-2)18(16,17)13-10(3)8-12(14-5)9-11(13)4/h8-9,14H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107328499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).