N-(2-hydroxypropan-2-yl)furan-2-sulfonamide

C7H11NO4S — CID 70147132

IUPACN-(2-hydroxypropan-2-yl)furan-2-sulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccco1
InChIInChI=1S/C7H11NO4S/c1-7(2,9)8-13(10,11)6-4-3-5-12-6/h3-5,8-9H,1-2H3
InChIKeyGEUHGGATEDCQER-UHFFFAOYSA-N
MW205.24 g/mol
LogP0.29
Rot. Bonds3

About N-(2-hydroxypropan-2-yl)furan-2-sulfonamide

N-(2-hydroxypropan-2-yl)furan-2-sulfonamide (PubChem CID 70147132) has the molecular formula C7H11NO4S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(2-hydroxypropan-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropan-2-yl)furan-2-sulfonamide
PubChem CID70147132
Molecular FormulaC7H11NO4S
Molecular Weight205.24 g/mol
Exact Mass205.04
IUPAC NameN-(2-hydroxypropan-2-yl)furan-2-sulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccco1
InChIInChI=1S/C7H11NO4S/c1-7(2,9)8-13(10,11)6-4-3-5-12-6/h3-5,8-9H,1-2H3
InChIKeyGEUHGGATEDCQER-UHFFFAOYSA-N
XLogP0.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2-hydroxypropan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropan-2-yl)furan-2-sulfonamide?
The IUPAC name of N-(2-hydroxypropan-2-yl)furan-2-sulfonamide (CID 70147132) is N-(2-hydroxypropan-2-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropan-2-yl)furan-2-sulfonamide?
The canonical SMILES for N-(2-hydroxypropan-2-yl)furan-2-sulfonamide is CC(C)(O)NS(=O)(=O)c1ccco1.
What is the InChIKey of N-(2-hydroxypropan-2-yl)furan-2-sulfonamide?
The InChIKey is GEUHGGATEDCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-7(2,9)8-13(10,11)6-4-3-5-12-6/h3-5,8-9H,1-2H3.
What are the key properties of N-(2-hydroxypropan-2-yl)furan-2-sulfonamide?
N-(2-hydroxypropan-2-yl)furan-2-sulfonamide has a molecular weight of 205.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropan-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 70147132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).