2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide

C11H16N2O3S — CID 61409798

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCCC1CO
InChIInChI=1S/C11H16N2O3S/c12-17(15,16)11-6-2-1-5-10(11)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2,(H2,12,15,16)
InChIKeyAHZGJSNUEGDVSP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.30
Rot. Bonds3

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 61409798) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID61409798
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCCC1CO
InChIInChI=1S/C11H16N2O3S/c12-17(15,16)11-6-2-1-5-10(11)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2,(H2,12,15,16)
InChIKeyAHZGJSNUEGDVSP-UHFFFAOYSA-N
XLogP0.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
2-(bromomethyl)-1-(2-ethylsulfonylphenyl)pyrrolidine
CID 80667738
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
CID 55167629
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
3-[1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-2-yl]propan-1-amine
CID 63760645
2-(3-chloropropyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 55182800
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide (CID 61409798) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1N1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is AHZGJSNUEGDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-17(15,16)11-6-2-1-5-10(11)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2,(H2,12,15,16).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 61409798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).