(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane

C19H21ClO3S — CID 118443628

IUPAC(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
SMILESCc1cccc(S(=O)(=O)[C@@]2(C)CCO[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H21ClO3S/c1-14-4-3-5-17(12-14)24(21,22)19(2)10-11-23-18(13-19)15-6-8-16(20)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3/t18-,19-/m0/s1
InChIKeyIXCMENOMJRQMIP-OALUTQOASA-N
MW364.89 g/mol
LogP4.73
Rot. Bonds3

About (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane

(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane (PubChem CID 118443628) has the molecular formula C19H21ClO3S and a molecular weight of 364.89 g/mol. Its IUPAC name is (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane.

Molecular Properties

Compound Name(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
PubChem CID118443628
Molecular FormulaC19H21ClO3S
Molecular Weight364.89 g/mol
Exact Mass364.09
IUPAC Name(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
SMILESCc1cccc(S(=O)(=O)[C@@]2(C)CCO[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H21ClO3S/c1-14-4-3-5-17(12-14)24(21,22)19(2)10-11-23-18(13-19)15-6-8-16(20)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3/t18-,19-/m0/s1
InChIKeyIXCMENOMJRQMIP-OALUTQOASA-N
XLogP4.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The IUPAC name of (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane (CID 118443628) is (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane.
What is the SMILES notation for (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The canonical SMILES for (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane is Cc1cccc(S(=O)(=O)[C@@]2(C)CCO[C@H](c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The InChIKey is IXCMENOMJRQMIP-OALUTQOASA-N. The full InChI is InChI=1S/C19H21ClO3S/c1-14-4-3-5-17(12-14)24(21,22)19(2)10-11-23-18(13-19)15-6-8-16(20)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane has a molecular weight of 364.89 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane is sourced from PubChem (CID 118443628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).