3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine

C11H14ClNO4S — CID 110740287

IUPAC3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC1C
InChIInChI=1S/C11H14ClNO4S/c1-8-13(5-6-17-8)18(14,15)11-7-9(12)3-4-10(11)16-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPGEVLSWQDYMBKD-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.72
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine

3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine (PubChem CID 110740287) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
PubChem CID110740287
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC1C
InChIInChI=1S/C11H14ClNO4S/c1-8-13(5-6-17-8)18(14,15)11-7-9(12)3-4-10(11)16-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPGEVLSWQDYMBKD-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
(4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51984083
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine (CID 110740287) is 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCOC1C.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The InChIKey is PGEVLSWQDYMBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-8-13(5-6-17-8)18(14,15)11-7-9(12)3-4-10(11)16-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine has a molecular weight of 291.76 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 110740287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).