5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide

C16H21NO5S — CID 90523863

IUPAC5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCC(O)c2ccco2)c1
InChIInChI=1S/C16H21NO5S/c1-3-12-6-7-15(21-2)16(11-12)23(19,20)17-9-8-13(18)14-5-4-10-22-14/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3
InChIKeyMPRXAIOYJUGCHM-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.25
Rot. Bonds8

About 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide

5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide (PubChem CID 90523863) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
PubChem CID90523863
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCC(O)c2ccco2)c1
InChIInChI=1S/C16H21NO5S/c1-3-12-6-7-15(21-2)16(11-12)23(19,20)17-9-8-13(18)14-5-4-10-22-14/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3
InChIKeyMPRXAIOYJUGCHM-UHFFFAOYSA-N
XLogP2.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 121085545
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide (CID 90523863) is 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCCC(O)c2ccco2)c1.
What is the InChIKey of 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide?
The InChIKey is MPRXAIOYJUGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-3-12-6-7-15(21-2)16(11-12)23(19,20)17-9-8-13(18)14-5-4-10-22-14/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3.
What are the key properties of 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide?
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90523863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).