4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine

C11H13Cl2NO3S — CID 775833

IUPAC4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-8-6-11(10(13)7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyHOTLQAQONXIZQA-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine

4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine (PubChem CID 775833) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
PubChem CID775833
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-8-6-11(10(13)7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyHOTLQAQONXIZQA-UHFFFAOYSA-N
XLogP2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3774926
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
CID 59093503
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682540
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
CID 27261564
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534092

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine (CID 775833) is 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine is Cc1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine?
The InChIKey is HOTLQAQONXIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-8-6-11(10(13)7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine?
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine has a molecular weight of 310.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 775833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).