5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide

C11H16N2O3S — CID 80717243

IUPAC5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C11H16N2O3S/c1-8-2-3-9(12)6-11(8)17(14,15)13-10-4-5-16-7-10/h2-3,6,10,13H,4-5,7,12H2,1H3
InChIKeyINBDUAJEVDTMRG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide

5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 80717243) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID80717243
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C11H16N2O3S/c1-8-2-3-9(12)6-11(8)17(14,15)13-10-4-5-16-7-10/h2-3,6,10,13H,4-5,7,12H2,1H3
InChIKeyINBDUAJEVDTMRG-UHFFFAOYSA-N
XLogP0.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868839
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264
5-(4-tert-butylphenyl)sulfonyl-2-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 57430364
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 80717243) is 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is INBDUAJEVDTMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-2-3-9(12)6-11(8)17(14,15)13-10-4-5-16-7-10/h2-3,6,10,13H,4-5,7,12H2,1H3.
What are the key properties of 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 80717243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).