N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide

C13H18N2O3S — CID 81258644

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c16-10-3-1-4-11(9-10)19(17,18)14-12-6-8-15-7-2-5-13(12)15/h1,3-4,9,12-14,16H,2,5-8H2
InChIKeyIEDNAPRPYJHKSJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.91
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide (PubChem CID 81258644) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
PubChem CID81258644
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c16-10-3-1-4-11(9-10)19(17,18)14-12-6-8-15-7-2-5-13(12)15/h1,3-4,9,12-14,16H,2,5-8H2
InChIKeyIEDNAPRPYJHKSJ-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-acetylbenzenesulfonamide
CID 100838682
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
4-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzenesulfonamide
CID 82845893
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
CID 110127873
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 43752315
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
CID 61051569
5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]sulfamoyl]-2-methylbenzamide
CID 94081793
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
CID 114958264

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide (CID 81258644) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide is O=S(=O)(NC1CCN2CCCC12)c1cccc(O)c1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide?
The InChIKey is IEDNAPRPYJHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-10-3-1-4-11(9-10)19(17,18)14-12-6-8-15-7-2-5-13(12)15/h1,3-4,9,12-14,16H,2,5-8H2.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81258644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).