4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine

C11H13Cl2NO3S — CID 881417

IUPAC4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-8-9(12)2-3-10(11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyMLQZCCPZZMJOFB-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine

4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine (PubChem CID 881417) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
PubChem CID881417
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-8-9(12)2-3-10(11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyMLQZCCPZZMJOFB-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

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 775480
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178553
(1S,5R,6R)-3-(2,4-dichloro-3-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 138387091
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
[(3aS,7aR)-2-(2,4-dichloro-3-methylphenyl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811646
5-chloro-2-methyl-3-morpholin-4-ylsulfonylbenzoic acid
CID 82883717
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 21240790
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine (CID 881417) is 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine is Cc1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl.
What is the InChIKey of 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine?
The InChIKey is MLQZCCPZZMJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-8-9(12)2-3-10(11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of 4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine?
4-(2,4-dichloro-3-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-3-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 881417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).