2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

C15H20ClNO5S — CID 69319727

IUPAC2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)O)cc1Cl
InChIInChI=1S/C15H20ClNO5S/c1-11-5-6-13(8-14(11)16)23(20,21)17-7-3-2-4-12(17)9-22-10-15(18)19/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyGUIKUDHOUGMUFB-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.29
Rot. Bonds6

About 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (PubChem CID 69319727) has the molecular formula C15H20ClNO5S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
PubChem CID69319727
Molecular FormulaC15H20ClNO5S
Molecular Weight361.85 g/mol
Exact Mass361.08
IUPAC Name2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)O)cc1Cl
InChIInChI=1S/C15H20ClNO5S/c1-11-5-6-13(8-14(11)16)23(20,21)17-7-3-2-4-12(17)9-22-10-15(18)19/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyGUIKUDHOUGMUFB-UHFFFAOYSA-N
XLogP2.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 143657937
2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 129385003
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
CID 59746470
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
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
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 24944730
1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]ethanone
CID 67453377
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 59746443
2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 74226134

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (CID 69319727) is 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is Cc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)O)cc1Cl.
What is the InChIKey of 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The InChIKey is GUIKUDHOUGMUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO5S/c1-11-5-6-13(8-14(11)16)23(20,21)17-7-3-2-4-12(17)9-22-10-15(18)19/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid has a molecular weight of 361.85 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 69319727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).