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

C10H12ClNO4S — CID 110740103

IUPAC3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC1
InChIInChI=1S/C10H12ClNO4S/c1-15-9-3-2-8(11)6-10(9)17(13,14)12-4-5-16-7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyWNKYGSLHYGWAQF-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.33
Rot. Bonds3

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

3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740103) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740103
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC1
InChIInChI=1S/C10H12ClNO4S/c1-15-9-3-2-8(11)6-10(9)17(13,14)12-4-5-16-7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyWNKYGSLHYGWAQF-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5201304
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
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1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
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4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
(1S,5R)-7-(5-chloro-2-methoxyphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155910021
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine (CID 110740103) is 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCOC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is WNKYGSLHYGWAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-15-9-3-2-8(11)6-10(9)17(13,14)12-4-5-16-7-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine?
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 277.73 g/mol, XLogP of 1.33, 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-1,3-oxazolidine is sourced from PubChem (CID 110740103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).