5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride

C14H18ClNO4S — CID 82911716

IUPAC5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO4S/c1-11-5-6-12(13(9-11)21(15,18)19)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyZRZZSLPRLDLCJC-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.31
Rot. Bonds4

About 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride

5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride (PubChem CID 82911716) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
PubChem CID82911716
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO4S/c1-11-5-6-12(13(9-11)21(15,18)19)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyZRZZSLPRLDLCJC-UHFFFAOYSA-N
XLogP2.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
CID 63323495
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
1-[4-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546462
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82909707
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
2-(azepane-1-carbonyl)-4-methylbenzenesulfonyl chloride
CID 65454498
5-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911896
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 3161694
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride (CID 82911716) is 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride is Cc1ccc(OCC(=O)N2CCCCC2)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The InChIKey is ZRZZSLPRLDLCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-11-5-6-12(13(9-11)21(15,18)19)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).