(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H10Cl2FNO3S — CID 103088611

IUPAC(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m1/s1
InChIKeyRVQDVKLZSWLZDH-ZCFIWIBFSA-N
MW314.17 g/mol
LogP1.89
Rot. Bonds2

About (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 103088611) has the molecular formula C10H10Cl2FNO3S and a molecular weight of 314.17 g/mol. Its IUPAC name is (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID103088611
Molecular FormulaC10H10Cl2FNO3S
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC Name(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m1/s1
InChIKeyRVQDVKLZSWLZDH-ZCFIWIBFSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 99828026
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
4-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089679
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine-4-carbonitrile
CID 91651723
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 103088337
3-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089696
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
5-(2,4-dichloro-3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103089094

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 103088611) is (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is RVQDVKLZSWLZDH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m1/s1.
What are the key properties of (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 314.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 103088611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).