4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide

C12H18N2O4S — CID 78962070

IUPAC4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H18N2O4S/c13-19(16,17)12-3-1-11(2-4-12)18-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2,(H2,13,16,17)/t10-/m1/s1
InChIKeyOLIZUFCNRWGYNI-SNVBAGLBSA-N
MW286.35 g/mol
LogP-0.22
Rot. Bonds5

About 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide

4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 78962070) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID78962070
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H18N2O4S/c13-19(16,17)12-3-1-11(2-4-12)18-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2,(H2,13,16,17)/t10-/m1/s1
InChIKeyOLIZUFCNRWGYNI-SNVBAGLBSA-N
XLogP-0.22
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzenesulfonamide;hydrochloride
CID 119927332
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943590
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide (CID 78962070) is 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCN2CC[C@@H](O)C2)cc1.
What is the InChIKey of 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is OLIZUFCNRWGYNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O4S/c13-19(16,17)12-3-1-11(2-4-12)18-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2,(H2,13,16,17)/t10-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 78962070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).