[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol

C11H13Cl2NO3S — CID 134374890

IUPAC[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)C1
InChIInChI=1S/C11H13Cl2NO3S/c12-9-1-2-11(10(13)5-9)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyQMSGRCAANIZSFS-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.00
Rot. Bonds3

About [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 134374890) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID134374890
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)C1
InChIInChI=1S/C11H13Cl2NO3S/c12-9-1-2-11(10(13)5-9)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyQMSGRCAANIZSFS-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
1-cyclooctyl-3-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]urea;methane
CID 173136289
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol (CID 134374890) is [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)C1.
What is the InChIKey of [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is QMSGRCAANIZSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-9-1-2-11(10(13)5-9)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 310.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 134374890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).