N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide

C9H15NO5S — CID 83178330

IUPACN-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C9H15NO5S/c1-7(4-5-11)10-16(13,14)9-3-2-8(6-12)15-9/h2-3,7,10-12H,4-6H2,1H3
InChIKeyWIBLZOXMUMQEEM-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.18
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide

N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide (PubChem CID 83178330) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
PubChem CID83178330
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC NameN-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C9H15NO5S/c1-7(4-5-11)10-16(13,14)9-3-2-8(6-12)15-9/h2-3,7,10-12H,4-6H2,1H3
InChIKeyWIBLZOXMUMQEEM-UHFFFAOYSA-N
XLogP-0.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
CID 83180119
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115477966
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide (CID 83178330) is N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide is CC(CCO)NS(=O)(=O)c1ccc(CO)o1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide?
The InChIKey is WIBLZOXMUMQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S/c1-7(4-5-11)10-16(13,14)9-3-2-8(6-12)15-9/h2-3,7,10-12H,4-6H2,1H3.
What are the key properties of N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide?
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide has a molecular weight of 249.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide is sourced from PubChem (CID 83178330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).