(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol

C14H20FNO5S — CID 99779452

IUPAC(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)cc1OC
InChIInChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10+/m0/s1
InChIKeyNGMGLZSKIWHRTM-VHSXEESVSA-N
MW333.38 g/mol
LogP1.38
Rot. Bonds4

About (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol

(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol (PubChem CID 99779452) has the molecular formula C14H20FNO5S and a molecular weight of 333.38 g/mol. Its IUPAC name is (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
PubChem CID99779452
Molecular FormulaC14H20FNO5S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Name(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)cc1OC
InChIInChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10+/m0/s1
InChIKeyNGMGLZSKIWHRTM-VHSXEESVSA-N
XLogP1.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
CID 99779451
(3S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031393
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol
CID 43502996
1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane
CID 5305602
(2S,4S)-1-(2,4-difluoro-6-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 167903413
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
1-(2,4-difluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742376
3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46595834
(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide
CID 130692930
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 102945935

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The IUPAC name of (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol (CID 99779452) is (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol.
What is the SMILES notation for (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The canonical SMILES for (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol is COc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)cc1OC.
What is the InChIKey of (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The InChIKey is NGMGLZSKIWHRTM-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol has a molecular weight of 333.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol is sourced from PubChem (CID 99779452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).