2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide

C11H16N2O4S — CID 106102216

IUPAC2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC1(O)CCOC1
InChIInChI=1S/C11H16N2O4S/c12-18(15,16)10-4-2-1-3-9(10)13-7-11(14)5-6-17-8-11/h1-4,13-14H,5-8H2,(H2,12,15,16)
InChIKeyYQOLDKWCIOPOLA-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide

2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide (PubChem CID 106102216) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
PubChem CID106102216
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC1(O)CCOC1
InChIInChI=1S/C11H16N2O4S/c12-18(15,16)10-4-2-1-3-9(10)13-7-11(14)5-6-17-8-11/h1-4,13-14H,5-8H2,(H2,12,15,16)
InChIKeyYQOLDKWCIOPOLA-UHFFFAOYSA-N
XLogP-0.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylsulfonylanilino)methyl]oxolan-3-ol
CID 113337725
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
3-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106099461
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436037
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide (CID 106102216) is 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NCC1(O)CCOC1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide?
The InChIKey is YQOLDKWCIOPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-18(15,16)10-4-2-1-3-9(10)13-7-11(14)5-6-17-8-11/h1-4,13-14H,5-8H2,(H2,12,15,16).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide?
2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).