5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide

C14H17NO4S — CID 107813315

IUPAC5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C14H17NO4S/c1-10(2)12-5-3-4-6-13(12)15-20(17,18)14-8-7-11(9-16)19-14/h3-8,10,15-16H,9H2,1-2H3
InChIKeyXNPJBQRQXNLZSI-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.70
Rot. Bonds5

About 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide

5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide (PubChem CID 107813315) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
PubChem CID107813315
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C14H17NO4S/c1-10(2)12-5-3-4-6-13(12)15-20(17,18)14-8-7-11(9-16)19-14/h3-8,10,15-16H,9H2,1-2H3
InChIKeyXNPJBQRQXNLZSI-UHFFFAOYSA-N
XLogP2.70
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
5-(ethylaminomethyl)-N-(2-methoxyphenyl)furan-2-sulfonamide
CID 106045113
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330
3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 107817829
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
5-(aminomethyl)-N-naphthalen-1-ylfuran-2-sulfonamide
CID 106040339
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide (CID 107813315) is 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide is CC(C)c1ccccc1NS(=O)(=O)c1ccc(CO)o1.
What is the InChIKey of 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide?
The InChIKey is XNPJBQRQXNLZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-10(2)12-5-3-4-6-13(12)15-20(17,18)14-8-7-11(9-16)19-14/h3-8,10,15-16H,9H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide?
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide is sourced from PubChem (CID 107813315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).