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

C11H17N3O3S — CID 112675017

IUPAC2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCC1OCCC1Nc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C11H17N3O3S/c1-7-8(5-6-17-7)14-9-3-2-4-10(11(9)12)18(13,15)16/h2-4,7-8,14H,5-6,12H2,1H3,(H2,13,15,16)
InChIKeyUZPYZMHHDAGFQZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.51
Rot. Bonds3

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

2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (PubChem CID 112675017) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
PubChem CID112675017
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCC1OCCC1Nc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C11H17N3O3S/c1-7-8(5-6-17-7)14-9-3-2-4-10(11(9)12)18(13,15)16/h2-4,7-8,14H,5-6,12H2,1H3,(H2,13,15,16)
InChIKeyUZPYZMHHDAGFQZ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (CID 112675017) is 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is CC1OCCC1Nc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The InChIKey is UZPYZMHHDAGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-8(5-6-17-7)14-9-3-2-4-10(11(9)12)18(13,15)16/h2-4,7-8,14H,5-6,12H2,1H3,(H2,13,15,16).
What are the key properties of 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
2-amino-3-[(2-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 2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 112675017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).