N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide

C13H20N2O4S — CID 66181481

IUPACN-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-15(10-8-14-9-10)20(16,17)13-7-11(18-2)5-6-12(13)19-3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyFXSOCNLKAYHRQT-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.69
Rot. Bonds6

About N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide

N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 66181481) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
PubChem CID66181481
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-15(10-8-14-9-10)20(16,17)13-7-11(18-2)5-6-12(13)19-3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyFXSOCNLKAYHRQT-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
N-cycloheptyl-2,5-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788698
ethyl 2,5-dimethoxybenzenesulfonate
CID 164678093
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
CID 35404554
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
ethyl (2S)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]propanoate
CID 95975765

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide (CID 66181481) is N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is FXSOCNLKAYHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-15(10-8-14-9-10)20(16,17)13-7-11(18-2)5-6-12(13)19-3/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide?
N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 66181481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).