4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

C15H19NO5S — CID 121085972

IUPAC4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C15H19NO5S/c1-3-20-12-6-8-13(9-7-12)22(18,19)16-11-15(2,17)14-5-4-10-21-14/h4-10,16-17H,3,11H2,1-2H3
InChIKeyAMBYHNYXIHIKJV-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.86
Rot. Bonds7

About 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 121085972) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
PubChem CID121085972
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C15H19NO5S/c1-3-20-12-6-8-13(9-7-12)22(18,19)16-11-15(2,17)14-5-4-10-21-14/h4-10,16-17H,3,11H2,1-2H3
InChIKeyAMBYHNYXIHIKJV-UHFFFAOYSA-N
XLogP1.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307640
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
CID 53279766
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100689408
4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 29354790
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085993
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (CID 121085972) is 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(C)(O)c2ccco2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is AMBYHNYXIHIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-3-20-12-6-8-13(9-7-12)22(18,19)16-11-15(2,17)14-5-4-10-21-14/h4-10,16-17H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 121085972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).