4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide

C13H18N2O3S — CID 104600155

IUPAC4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCOC2C2CC2)cc1
InChIInChI=1S/C13H18N2O3S/c14-10-3-5-11(6-4-10)19(16,17)15-12-7-8-18-13(12)9-1-2-9/h3-6,9,12-13,15H,1-2,7-8,14H2
InChIKeyWJCIRSWSWALCBE-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.11
Rot. Bonds4

About 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide

4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide (PubChem CID 104600155) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
PubChem CID104600155
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCOC2C2CC2)cc1
InChIInChI=1S/C13H18N2O3S/c14-10-3-5-11(6-4-10)19(16,17)15-12-7-8-18-13(12)9-1-2-9/h3-6,9,12-13,15H,1-2,7-8,14H2
InChIKeyWJCIRSWSWALCBE-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.11
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

4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215
2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
CID 146109222
N-(2-cyclopropyloxolan-3-yl)-3-hydrazinylpyridine-2-sulfonamide
CID 114119947
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173
N-(2-adamantyl)-4-aminobenzenesulfonamide
CID 11771200
4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
CID 86790763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide (CID 104600155) is 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCOC2C2CC2)cc1.
What is the InChIKey of 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The InChIKey is WJCIRSWSWALCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-10-3-5-11(6-4-10)19(16,17)15-12-7-8-18-13(12)9-1-2-9/h3-6,9,12-13,15H,1-2,7-8,14H2.
What are the key properties of 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 104600155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).