2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol

C12H17ClN2O3S — CID 114796780

IUPAC2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H17ClN2O3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2
InChIKeyGAUOKKDRGHYWCA-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114796780) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114796780
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H17ClN2O3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2
InChIKeyGAUOKKDRGHYWCA-UHFFFAOYSA-N
XLogP1.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 97326823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 114796780) is 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol is Nc1cc(Cl)ccc1S(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is GAUOKKDRGHYWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2.
What are the key properties of 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 304.80 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).