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

C19H21ClO3S — CID 118443624

IUPAC(2R,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+/m1/s1
InChIKeyIXCMENOMJRQMIP-MOPGFXCFSA-N
MW364.89 g/mol
LogP4.73
Rot. Bonds3

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

(2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane (PubChem CID 118443624) has the molecular formula C19H21ClO3S and a molecular weight of 364.89 g/mol. Its IUPAC name is (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane.

Molecular Properties

Compound Name(2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
PubChem CID118443624
Molecular FormulaC19H21ClO3S
Molecular Weight364.89 g/mol
Exact Mass364.09
IUPAC Name(2R,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+/m1/s1
InChIKeyIXCMENOMJRQMIP-MOPGFXCFSA-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

Analyze (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443628
2-(4-chlorophenyl)-4-methyl-4-[3-(trifluoromethoxy)phenyl]sulfonyloxane
CID 118432472
3-[(2S,4S)-4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-5-methylsulfonylpyridine
CID 118445029
4-methyl-4-(3-methylphenyl)sulfonyl-2-[3-methylsulfonyl-4-(trifluoromethyl)phenyl]oxane
CID 118443654
2-(4-chlorophenyl)-4-methoxy-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 174833807
2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane
CID 118443618
1-butyl-5-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-3-(trifluoromethyl)pyrazole
CID 126764384
2-(4-bromophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyloxane
CID 118432426
2-(2-fluoro-4-methylsulfonylphenyl)-4-methyl-4-(3-propan-2-yloxyphenyl)sulfonyloxane
CID 118432522
5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-1H-pyrazole
CID 129023668
4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-(4-methylsulfanylphenyl)oxane
CID 118432462
[3-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-5-(trifluoromethyl)phenyl]methanesulfinate
CID 174834109

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The IUPAC name of (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane (CID 118443624) is (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane.
What is the SMILES notation for (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The canonical SMILES for (2R,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 (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
The InChIKey is IXCMENOMJRQMIP-MOPGFXCFSA-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+/m1/s1.
What are the key properties of (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane?
(2R,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 (2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane is sourced from PubChem (CID 118443624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).