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

C14H22N2O3S — CID 115966637

IUPACN-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-15-20(18,19)14-6-4-13(5-7-14)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyXRJMIBQYWPEMST-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.19
Rot. Bonds5

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

N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 115966637) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID115966637
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-15-20(18,19)14-6-4-13(5-7-14)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyXRJMIBQYWPEMST-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
CID 115966647
4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
CID 81452208
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
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
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
4-(1,4-diazepan-1-yl)-N-ethylbenzenesulfonamide
CID 43453924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide (CID 115966637) is N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N2CCC(C(C)O)C2)cc1.
What is the InChIKey of N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is XRJMIBQYWPEMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-15-20(18,19)14-6-4-13(5-7-14)16-9-8-12(10-16)11(2)17/h4-7,11-12,15,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide?
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 115966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).