2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C16H17ClO5S — CID 51351147

IUPAC2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C16H17ClO5S/c1-11(16(18)22-7-8-23(17,19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyNQGOSACHCUAKHO-NSHDSACASA-N
MW356.83 g/mol
LogP3.06
Rot. Bonds6

About 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 51351147) has the molecular formula C16H17ClO5S and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID51351147
Molecular FormulaC16H17ClO5S
Molecular Weight356.83 g/mol
Exact Mass356.05
IUPAC Name2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C16H17ClO5S/c1-11(16(18)22-7-8-23(17,19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyNQGOSACHCUAKHO-NSHDSACASA-N
XLogP3.06
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-(2-nitrooxyethylsulfonyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 10409347
3-methylsulfonyloxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89099658
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
2-(2-hydroxyethyldisulfanyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 87404087
2-(2-hydroxyethylsulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 21075929
2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 163127926
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 51351147) is 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)Cl)ccc2c1.
What is the InChIKey of 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is NQGOSACHCUAKHO-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClO5S/c1-11(16(18)22-7-8-23(17,19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 356.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 51351147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).