2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

C14H17Cl2NO5S — CID 129385003

IUPAC2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(14(11)16)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)/t10-/m0/s1
InChIKeyFVKTXVIVJPCRPO-JTQLQIEISA-N
MW382.27 g/mol
LogP2.64
Rot. Bonds6

About 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (PubChem CID 129385003) has the molecular formula C14H17Cl2NO5S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
PubChem CID129385003
Molecular FormulaC14H17Cl2NO5S
Molecular Weight382.27 g/mol
Exact Mass381.02
IUPAC Name2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(14(11)16)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)/t10-/m0/s1
InChIKeyFVKTXVIVJPCRPO-JTQLQIEISA-N
XLogP2.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
CID 59746470
2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 69319727
2-[[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 143657937
2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 25114297
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61009148
2-[[1-(2,6-dichlorophenyl)sulfanylpiperidin-2-yl]methoxy]acetic acid
CID 89006742
2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 24945731
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142700020
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (CID 129385003) is 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is O=C(O)COC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The InChIKey is FVKTXVIVJPCRPO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(14(11)16)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid has a molecular weight of 382.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 129385003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).