4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide

C12H18N2O3S — CID 112627958

IUPAC4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCC(O)C1CCN(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H18N2O3S/c1-9(15)10-6-7-14(8-10)11-2-4-12(5-3-11)18(13,16)17/h2-5,9-10,15H,6-8H2,1H3,(H2,13,16,17)
InChIKeyCVHJNLWXJGGZDF-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.54
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 112627958) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID112627958
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCC(O)C1CCN(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H18N2O3S/c1-9(15)10-6-7-14(8-10)11-2-4-12(5-3-11)18(13,16)17/h2-5,9-10,15H,6-8H2,1H3,(H2,13,16,17)
InChIKeyCVHJNLWXJGGZDF-UHFFFAOYSA-N
XLogP0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
CID 115966647
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
3-amino-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112624246
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
CID 146149057
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide (CID 112627958) is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide is CC(O)C1CCN(c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is CVHJNLWXJGGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(15)10-6-7-14(8-10)11-2-4-12(5-3-11)18(13,16)17/h2-5,9-10,15H,6-8H2,1H3,(H2,13,16,17).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 112627958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).