(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine

C16H17NO3S — CID 1486299

IUPAC(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-17-16(13-8-4-2-5-9-13)15(12-20-17)21(18,19)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16+/m1/s1
InChIKeyPIWYEEGRCXFZGC-CVEARBPZSA-N
MW303.38 g/mol
LogP2.45
Rot. Bonds3

About (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine

(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 1486299) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
PubChem CID1486299
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-17-16(13-8-4-2-5-9-13)15(12-20-17)21(18,19)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16+/m1/s1
InChIKeyPIWYEEGRCXFZGC-CVEARBPZSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382
(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 40520713
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 100898283
N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043886
3-(benzenesulfonyl)-4-bromooxolane
CID 12543461

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine (CID 1486299) is (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine is CN1OC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is PIWYEEGRCXFZGC-CVEARBPZSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-17-16(13-8-4-2-5-9-13)15(12-20-17)21(18,19)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine?
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 303.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 1486299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).