N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide

C15H19NO4S — CID 90523818

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1ccco1
InChIInChI=1S/C15H19NO4S/c17-14(15-7-4-11-20-15)8-10-16-21(18,19)12-9-13-5-2-1-3-6-13/h1-7,11,14,16-17H,8-10,12H2
InChIKeyLYHQFGLGGHOZGZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.87
Rot. Bonds8

About N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide (PubChem CID 90523818) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
PubChem CID90523818
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1ccco1
InChIInChI=1S/C15H19NO4S/c17-14(15-7-4-11-20-15)8-10-16-21(18,19)12-9-13-5-2-1-3-6-13/h1-7,11,14,16-17H,8-10,12H2
InChIKeyLYHQFGLGGHOZGZ-UHFFFAOYSA-N
XLogP1.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523810
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
CID 86266756
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide (CID 90523818) is N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCC(O)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide?
The InChIKey is LYHQFGLGGHOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-14(15-7-4-11-20-15)8-10-16-21(18,19)12-9-13-5-2-1-3-6-13/h1-7,11,14,16-17H,8-10,12H2.
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 90523818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).