4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide

C16H24N2O4S — CID 18761661

IUPAC4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide
SMILESCCCC1(CCC)C(=O)OCC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-9-16(10-4-2)14(11-22-15(16)19)18-23(20,21)13-7-5-12(17)6-8-13/h5-8,14,18H,3-4,9-11,17H2,1-2H3
InChIKeyMPZZRXXEZNJWGR-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.06
Rot. Bonds7

About 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide

4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide (PubChem CID 18761661) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide
PubChem CID18761661
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide
SMILESCCCC1(CCC)C(=O)OCC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-9-16(10-4-2)14(11-22-15(16)19)18-23(20,21)13-7-5-12(17)6-8-13/h5-8,14,18H,3-4,9-11,17H2,1-2H3
InChIKeyMPZZRXXEZNJWGR-UHFFFAOYSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide (CID 18761661) is 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide is CCCC1(CCC)C(=O)OCC1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide?
The InChIKey is MPZZRXXEZNJWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-9-16(10-4-2)14(11-22-15(16)19)18-23(20,21)13-7-5-12(17)6-8-13/h5-8,14,18H,3-4,9-11,17H2,1-2H3.
What are the key properties of 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide?
4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 18761661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).