4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide

C12H18N2O4S — CID 107271459

IUPAC4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O4S/c1-9-12(15,6-7-18-9)8-14-19(16,17)11-4-2-10(13)3-5-11/h2-5,9,14-15H,6-8,13H2,1H3
InChIKeyICDUXXUGXVDITK-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.09
Rot. Bonds4

About 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 107271459) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
PubChem CID107271459
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O4S/c1-9-12(15,6-7-18-9)8-14-19(16,17)11-4-2-10(13)3-5-11/h2-5,9,14-15H,6-8,13H2,1H3
InChIKeyICDUXXUGXVDITK-UHFFFAOYSA-N
XLogP0.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334
3-amino-2,4-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099337
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106099841
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099858
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide (CID 107271459) is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide is CC1OCCC1(O)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is ICDUXXUGXVDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-12(15,6-7-18-9)8-14-19(16,17)11-4-2-10(13)3-5-11/h2-5,9,14-15H,6-8,13H2,1H3.
What are the key properties of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide?
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107271459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).