4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide

C15H23NO5S — CID 110359367

IUPAC4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C15H23NO5S/c1-11-10-14(12(2)9-13(11)19-4)22(17,18)16-6-5-15(3)20-7-8-21-15/h9-10,16H,5-8H2,1-4H3
InChIKeyNENPPZRFECMVGH-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.74
Rot. Bonds6

About 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110359367) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID110359367
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C15H23NO5S/c1-11-10-14(12(2)9-13(11)19-4)22(17,18)16-6-5-15(3)20-7-8-21-15/h9-10,16H,5-8H2,1-4H3
InChIKeyNENPPZRFECMVGH-UHFFFAOYSA-N
XLogP1.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359396
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712416
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110719180
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide (CID 110359367) is 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCC2(C)OCCO2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NENPPZRFECMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-11-10-14(12(2)9-13(11)19-4)22(17,18)16-6-5-15(3)20-7-8-21-15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110359367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).