5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide

C11H17N3O3S — CID 113481909

IUPAC5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCC1(Nc2ccc(N)cc2S(N)(=O)=O)CCOC1
InChIInChI=1S/C11H17N3O3S/c1-11(4-5-17-7-11)14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16)
InChIKeyJGSACTZFLHWWRJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.51
Rot. Bonds3

About 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide

5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide (PubChem CID 113481909) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide
PubChem CID113481909
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCC1(Nc2ccc(N)cc2S(N)(=O)=O)CCOC1
InChIInChI=1S/C11H17N3O3S/c1-11(4-5-17-7-11)14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16)
InChIKeyJGSACTZFLHWWRJ-UHFFFAOYSA-N
XLogP0.51
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.51
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

5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 114115545
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
3-methyl-3-(sulfamoylamino)oxolane
CID 115766552
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
CID 106348379
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
5-amino-2-(methylaminomethyl)benzenesulfonamide
CID 56998580
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide (CID 113481909) is 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide is CC1(Nc2ccc(N)cc2S(N)(=O)=O)CCOC1.
What is the InChIKey of 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide?
The InChIKey is JGSACTZFLHWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(4-5-17-7-11)14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16).
What are the key properties of 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide?
5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 113481909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).