4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide

C13H20N2O3S — CID 104892809

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-8-14-19(17,18)13-5-3-11(4-6-13)15-9-7-12(16)10-15/h3-6,12,14,16H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyVHYVBXBETPVPMX-GFCCVEGCSA-N
MW284.38 g/mol
LogP0.95
Rot. Bonds5

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide

4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide (PubChem CID 104892809) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
PubChem CID104892809
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-8-14-19(17,18)13-5-3-11(4-6-13)15-9-7-12(16)10-15/h3-6,12,14,16H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyVHYVBXBETPVPMX-GFCCVEGCSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
CID 81452208
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide
CID 64983752
4-ethyl-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640709
3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
4-acetyl-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640429
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640330
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide (CID 104892809) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The InChIKey is VHYVBXBETPVPMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-8-14-19(17,18)13-5-3-11(4-6-13)15-9-7-12(16)10-15/h3-6,12,14,16H,2,7-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 104892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).