[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol

C12H14F3NO4S — CID 62373102

IUPAC[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)C1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-1-3-11(4-2-10)21(18,19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2
InChIKeyLPDKMKSKKPJNMQ-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.59
Rot. Bonds4

About [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol

[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62373102) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
PubChem CID62373102
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)C1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-1-3-11(4-2-10)21(18,19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2
InChIKeyLPDKMKSKKPJNMQ-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 24958593
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoic acid
CID 66681921
(E)-1-cyclopropyl-3-methyl-4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]but-3-en-2-one
CID 58065337
N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
(Z)-1-cyclopropyl-4-methoxy-4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]but-3-en-2-one
CID 58065358

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol (CID 62373102) is [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)C1.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is LPDKMKSKKPJNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-1-3-11(4-2-10)21(18,19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2.
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol?
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 325.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62373102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).