[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol

C19H21F2NO3S — CID 45210574

IUPAC[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H21F2NO3S/c20-16-7-8-18(17(21)11-16)26(24,25)22-10-4-9-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-8,11,23H,4,9-10,12-14H2
InChIKeyYQIZXDHTFIZYLH-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.97
Rot. Bonds5

About [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol

[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 45210574) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID45210574
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H21F2NO3S/c20-16-7-8-18(17(21)11-16)26(24,25)22-10-4-9-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-8,11,23H,4,9-10,12-14H2
InChIKeyYQIZXDHTFIZYLH-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(2,4-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125022566
[(3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
CID 97140915
(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071426
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 25383119
[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 139001905
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 125006010
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
CID 97133385
(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071376
2-[1-(4-fluoro-2-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110081474
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080774

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol (CID 45210574) is [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1ccc(F)cc1F)N1CCCC(CO)(Cc2ccccc2)C1.
What is the InChIKey of [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is YQIZXDHTFIZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c20-16-7-8-18(17(21)11-16)26(24,25)22-10-4-9-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-8,11,23H,4,9-10,12-14H2.
What are the key properties of [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol?
[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 381.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 45210574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).