(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide

C18H21ClN2O3S — CID 93000153

IUPAC(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OC[C@@H](S(=O)(=O)NCCc2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-21-18(15-7-9-16(19)10-8-15)17(13-24-21)25(22,23)20-12-11-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18+/m1/s1
InChIKeyURLGWHIVKJRVOF-MSOLQXFVSA-N
MW380.90 g/mol
LogP2.79
Rot. Bonds6

About (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide

(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 93000153) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID93000153
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OC[C@@H](S(=O)(=O)NCCc2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-21-18(15-7-9-16(19)10-8-15)17(13-24-21)25(22,23)20-12-11-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18+/m1/s1
InChIKeyURLGWHIVKJRVOF-MSOLQXFVSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(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
3-(furan-2-yl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869504
(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000491
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 129429017
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
CID 42851143

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide (CID 93000153) is (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide is CN1OC[C@@H](S(=O)(=O)NCCc2ccccc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is URLGWHIVKJRVOF-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-21-18(15-7-9-16(19)10-8-15)17(13-24-21)25(22,23)20-12-11-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93000153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).