N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide

C15H19NO5S — CID 90605128

IUPACN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C15H19NO5S/c1-15(17,10-12-6-5-9-21-12)11-16-22(18,19)14-8-4-3-7-13(14)20-2/h3-9,16-17H,10-11H2,1-2H3
InChIKeyZCQONAZJKKPXGQ-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide (PubChem CID 90605128) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
PubChem CID90605128
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C15H19NO5S/c1-15(17,10-12-6-5-9-21-12)11-16-22(18,19)14-8-4-3-7-13(14)20-2/h3-9,16-17H,10-11H2,1-2H3
InChIKeyZCQONAZJKKPXGQ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide (CID 90605128) is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC(C)(O)Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZCQONAZJKKPXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-15(17,10-12-6-5-9-21-12)11-16-22(18,19)14-8-4-3-7-13(14)20-2/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide?
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90605128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).