4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H19NO4S — CID 3154669

IUPAC4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyOWMBGZSGPNOTBT-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.54
Rot. Bonds6

About 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3154669) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3154669
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyOWMBGZSGPNOTBT-UHFFFAOYSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Propoxybenzenesulfonamide
CID 21978067
4-Butoxybenzenesulfonamide
CID 2049187
4-Ethoxybenzenesulfonamide
CID 3724005
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
3-Chloro-4-methoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2963993
N-ethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811202
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3154669) is 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is OWMBGZSGPNOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3154669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).