[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol

C16H18N2O3S — CID 91467228

IUPAC[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ccccn2)cc1)N1CCCC1CO
InChIInChI=1S/C16H18N2O3S/c19-12-14-4-3-11-18(14)22(20,21)15-8-6-13(7-9-15)16-5-1-2-10-17-16/h1-2,5-10,14,19H,3-4,11-12H2
InChIKeySNCNNSFBDLOKAT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.89
Rot. Bonds4

About [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 91467228) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID91467228
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ccccn2)cc1)N1CCCC1CO
InChIInChI=1S/C16H18N2O3S/c19-12-14-4-3-11-18(14)22(20,21)15-8-6-13(7-9-15)16-5-1-2-10-17-16/h1-2,5-10,14,19H,3-4,11-12H2
InChIKeySNCNNSFBDLOKAT-UHFFFAOYSA-N
XLogP1.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 174971358
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
CID 46956638
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927

Frequently Asked Questions

What is the IUPAC name of [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 91467228) is [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(-c2ccccn2)cc1)N1CCCC1CO.
What is the InChIKey of [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is SNCNNSFBDLOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-12-14-4-3-11-18(14)22(20,21)15-8-6-13(7-9-15)16-5-1-2-10-17-16/h1-2,5-10,14,19H,3-4,11-12H2.
What are the key properties of [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 318.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 91467228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).