4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

C18H23NO5S — CID 2812346

IUPAC4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO5S/c1-3-14-4-10-18(11-5-14)25(21,22)19-12-15(20)13-24-17-8-6-16(23-2)7-9-17/h4-11,15,19-20H,3,12-13H2,1-2H3
InChIKeyHMDQOVRQIRUHJA-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.98
Rot. Bonds9

About 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (PubChem CID 2812346) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
PubChem CID2812346
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO5S/c1-3-14-4-10-18(11-5-14)25(21,22)19-12-15(20)13-24-17-8-6-16(23-2)7-9-17/h4-11,15,19-20H,3,12-13H2,1-2H3
InChIKeyHMDQOVRQIRUHJA-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Hydroxy-3-(4-methylphenyl)tellanylpropoxy]benzenesulfonamide
CID 155511036
4-[2-Hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide
CID 155512108
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
CID 2812345
3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 2812610
N-benzyl-4-[2-hydroxy-3-(methylamino)propoxy]benzenesulfonamide;hydrochloride
CID 145956073
4-[2-hydroxy-3-(methylamino)propoxy]-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 145959974
2-(2-Fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2528367
N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide
CID 67568836
N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
CID 2317140
N-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-4-methyl-benzenesulfonamide
CID 3130295
N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-2-methoxybenzenesulfonamide
CID 145960416
N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-3-methoxybenzenesulfonamide
CID 145961693

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (CID 2812346) is 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The InChIKey is HMDQOVRQIRUHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-3-14-4-10-18(11-5-14)25(21,22)19-12-15(20)13-24-17-8-6-16(23-2)7-9-17/h4-11,15,19-20H,3,12-13H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 2812346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).