N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

C22H28N2O6S2 — CID 2932806

IUPACN-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
InChIKeyXTBFFGIYYRJDIR-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.27
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2932806) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2932806
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC NameN-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
InChIKeyXTBFFGIYYRJDIR-UHFFFAOYSA-N
XLogP2.27
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (CID 2932806) is N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is XTBFFGIYYRJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 480.61 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2932806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).