3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine

C11H14ClNO3S — CID 110740254

IUPAC3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2C)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-8-3-4-10(7-11(8)12)17(14,15)13-5-6-16-9(13)2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyILEAOWKQNJRXKH-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.02
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine

3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine (PubChem CID 110740254) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
PubChem CID110740254
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2C)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-8-3-4-10(7-11(8)12)17(14,15)13-5-6-16-9(13)2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyILEAOWKQNJRXKH-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-(3-chloro-4-methylphenyl)sulfonyl-2,3,4-trimethylpiperazine
CID 98855875
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740284
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977312
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
4-(3,4-dimethylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 110290104
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine (CID 110740254) is 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2CCOC2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The InChIKey is ILEAOWKQNJRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-8-3-4-10(7-11(8)12)17(14,15)13-5-6-16-9(13)2/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine has a molecular weight of 275.76 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 110740254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).