[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol

C11H13Cl2NO3S — CID 62372743

IUPAC[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(CO)C1
InChIInChI=1S/C11H13Cl2NO3S/c12-9-3-10(13)5-11(4-9)18(16,17)14-2-1-8(6-14)7-15/h3-5,8,15H,1-2,6-7H2
InChIKeyZRCHFRPTEQAKGU-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.00
Rot. Bonds3

About [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62372743) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID62372743
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(CO)C1
InChIInChI=1S/C11H13Cl2NO3S/c12-9-3-10(13)5-11(4-9)18(16,17)14-2-1-8(6-14)7-15/h3-5,8,15H,1-2,6-7H2
InChIKeyZRCHFRPTEQAKGU-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-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727357
(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411225
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 97326823

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol (CID 62372743) is [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(CO)C1.
What is the InChIKey of [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is ZRCHFRPTEQAKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-9-3-10(13)5-11(4-9)18(16,17)14-2-1-8(6-14)7-15/h3-5,8,15H,1-2,6-7H2.
What are the key properties of [1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(3,5-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-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62372743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).