1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol

C10H12Cl2N2O3S — CID 62918182

IUPAC1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C10H12Cl2N2O3S/c11-6-3-8(12)10(9(13)4-6)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyXAYJRAKVHQVVEE-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.33
Rot. Bonds2

About 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol

1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62918182) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62918182
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C10H12Cl2N2O3S/c11-6-3-8(12)10(9(13)4-6)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyXAYJRAKVHQVVEE-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.33
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-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 43255653
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212769
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol (CID 62918182) is 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is XAYJRAKVHQVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c11-6-3-8(12)10(9(13)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-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol?
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 311.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62918182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).