N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide

C15H18N2O6S2 — CID 645521

IUPACN-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H18N2O6S2/c18-24(19,16-12-13-3-2-8-23-13)14-4-1-5-15(11-14)25(20,21)17-6-9-22-10-7-17/h1-5,8,11,16H,6-7,9-10,12H2
InChIKeyUHPBUNFLOUMBKV-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide

N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 645521) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID645521
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC NameN-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H18N2O6S2/c18-24(19,16-12-13-3-2-8-23-13)14-4-1-5-15(11-14)25(20,21)17-6-9-22-10-7-17/h1-5,8,11,16H,6-7,9-10,12H2
InChIKeyUHPBUNFLOUMBKV-UHFFFAOYSA-N
XLogP0.78
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide 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-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide (CID 645521) is N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is UHPBUNFLOUMBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c18-24(19,16-12-13-3-2-8-23-13)14-4-1-5-15(11-14)25(20,21)17-6-9-22-10-7-17/h1-5,8,11,16H,6-7,9-10,12H2.
What are the key properties of N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 645521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).