4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

C11H16N2O5S2 — CID 63247383

IUPAC4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)cc1
InChIInChI=1S/C11H16N2O5S2/c12-20(16,17)11-5-3-9(4-6-11)13-19(14,15)8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyLEIINNNWUGPXJS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.25
Rot. Bonds5

About 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (PubChem CID 63247383) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
PubChem CID63247383
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)cc1
InChIInChI=1S/C11H16N2O5S2/c12-20(16,17)11-5-3-9(4-6-11)13-19(14,15)8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyLEIINNNWUGPXJS-UHFFFAOYSA-N
XLogP0.25
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (CID 63247383) is 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)CC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The InChIKey is LEIINNNWUGPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c12-20(16,17)11-5-3-9(4-6-11)13-19(14,15)8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17).
What are the key properties of 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63247383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).