4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C11H16N2O3S — CID 82741535

IUPAC4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-13(10-6-7-16-8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8,12H2,1H3
InChIKeyUETKGYJVQJWNSZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.68
Rot. Bonds3

About 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82741535) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82741535
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-13(10-6-7-16-8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8,12H2,1H3
InChIKeyUETKGYJVQJWNSZ-UHFFFAOYSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748017
N-methyl-N-[(3S)-oxolan-3-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 99859364
2-amino-N-methyl-N-(oxolan-3-yl)pyridine-4-sulfonamide
CID 82743975
4-(cyanomethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 79477174
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
3-amino-N,4,5-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740817
3-[4-[methyl(oxolan-3-yl)sulfamoyl]phenyl]propanoic acid
CID 82732341
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
4-amino-2-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82741535) is 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CN(C1CCOC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is UETKGYJVQJWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13(10-6-7-16-8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8,12H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82741535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).