4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide

C17H17ClN2O3S — CID 7214268

IUPAC4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=NS(=O)(=O)c2ccc(Cl)cc2)N1C
InChIInChI=1S/C17H17ClN2O3S/c1-12-16(13-6-4-3-5-7-13)23-17(20(12)2)19-24(21,22)15-10-8-14(18)9-11-15/h3-12,16H,1-2H3/t12-,16-/m0/s1
InChIKeyARQAYEHJJBQGSN-LRDDRELGSA-N
MW364.85 g/mol
LogP3.48
Rot. Bonds3

About 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide

4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide (PubChem CID 7214268) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
PubChem CID7214268
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=NS(=O)(=O)c2ccc(Cl)cc2)N1C
InChIInChI=1S/C17H17ClN2O3S/c1-12-16(13-6-4-3-5-7-13)23-17(20(12)2)19-24(21,22)15-10-8-14(18)9-11-15/h3-12,16H,1-2H3/t12-,16-/m0/s1
InChIKeyARQAYEHJJBQGSN-LRDDRELGSA-N
XLogP3.48
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide
CID 134919732
4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126211272
pentyl (4Z)-4-(4-chlorophenyl)sulfonylimino-2-methyl-5-phenylfuran-3-carboxylate
CID 46914420
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(2R,3S)-5,6,8,9-tetrachloro-3-(4-chlorophenyl)-2-phenyl-1-oxaspiro[3.5]nona-5,8-dien-7-one
CID 100966287
(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
CID 142664123
4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
CID 134992604
4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 134612923
(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one
CID 102308334
(NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CID 13373538
N-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N'-(4-chlorophenyl)sulfonyl-N-methylmethanimidamide
CID 15603838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide (CID 7214268) is 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide is C[C@H]1[C@@H](c2ccccc2)OC(=NS(=O)(=O)c2ccc(Cl)cc2)N1C.
What is the InChIKey of 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is ARQAYEHJJBQGSN-LRDDRELGSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12-16(13-6-4-3-5-7-13)23-17(20(12)2)19-24(21,22)15-10-8-14(18)9-11-15/h3-12,16H,1-2H3/t12-,16-/m0/s1.
What are the key properties of 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide?
4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 7214268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).