(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol

C10H11Cl2NO3S — CID 98008354

IUPAC(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@H](O)C1
InChIInChI=1S/C10H11Cl2NO3S/c11-7-1-2-10(9(12)5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyARBNZEUQGBOYNU-QMMMGPOBSA-N
MW296.18 g/mol
LogP1.75
Rot. Bonds2

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

(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 98008354) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID98008354
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@H](O)C1
InChIInChI=1S/C10H11Cl2NO3S/c11-7-1-2-10(9(12)5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyARBNZEUQGBOYNU-QMMMGPOBSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62943175

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol (CID 98008354) is (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is ARBNZEUQGBOYNU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c11-7-1-2-10(9(12)5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 296.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 98008354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).