1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H12ClFN2O3S — CID 103051379

IUPAC1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C10H12ClFN2O3S/c11-6-3-8(13)10(12)9(4-6)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyQJYDPZNCVYUTIN-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.82
Rot. Bonds2

About 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol

1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 103051379) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID103051379
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C10H12ClFN2O3S/c11-6-3-8(13)10(12)9(4-6)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyQJYDPZNCVYUTIN-UHFFFAOYSA-N
XLogP0.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.82
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

1-(3-amino-5-chloro-2-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 103052245
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215060
5-chloro-3-(3-ethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 103052019
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-5-chloro-2-fluoroaniline
CID 103050808
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-chloro-2-fluoroaniline
CID 103051918
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-5-chloro-2-fluoroaniline
CID 103051660

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 103051379) is 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol is Nc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1F.
What is the InChIKey of 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is QJYDPZNCVYUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-6-3-8(13)10(12)9(4-6)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2.
What are the key properties of 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol?
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 294.74 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 103051379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).