4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide

C15H23NO5S — CID 35611524

IUPAC4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-10-8-13(19-3)14(20-4)9-15(10)22(17,18)16-11(2)12-6-5-7-21-12/h8-9,11-12,16H,5-7H2,1-4H3/t11-,12-/m0/s1
InChIKeyXWKHTEZRSWKQIB-RYUDHWBXSA-N
MW329.42 g/mol
LogP1.86
Rot. Bonds6

About 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide

4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide (PubChem CID 35611524) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
PubChem CID35611524
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-10-8-13(19-3)14(20-4)9-15(10)22(17,18)16-11(2)12-6-5-7-21-12/h8-9,11-12,16H,5-7H2,1-4H3/t11-,12-/m0/s1
InChIKeyXWKHTEZRSWKQIB-RYUDHWBXSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107327853
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
2-amino-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 62146601
3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 103077280
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42955258
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide (CID 35611524) is 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The InChIKey is XWKHTEZRSWKQIB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-10-8-13(19-3)14(20-4)9-15(10)22(17,18)16-11(2)12-6-5-7-21-12/h8-9,11-12,16H,5-7H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 35611524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).