N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide

C13H15NO4S — CID 81258780

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H15NO4S/c1-10(8-12-5-3-7-18-12)14-19(16,17)13-6-2-4-11(15)9-13/h2-7,9-10,14-15H,8H2,1H3
InChIKeySSVVTGPGFFKOJU-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.89
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide

N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide (PubChem CID 81258780) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
PubChem CID81258780
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H15NO4S/c1-10(8-12-5-3-7-18-12)14-19(16,17)13-6-2-4-11(15)9-13/h2-7,9-10,14-15H,8H2,1H3
InChIKeySSVVTGPGFFKOJU-UHFFFAOYSA-N
XLogP1.89
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 95084897
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide (CID 81258780) is N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The InChIKey is SSVVTGPGFFKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-10(8-12-5-3-7-18-12)14-19(16,17)13-6-2-4-11(15)9-13/h2-7,9-10,14-15H,8H2,1H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide?
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide has a molecular weight of 281.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).