4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine

C14H16ClN3O3S — CID 110105562

IUPAC4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2COCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C14H16ClN3O3S/c1-10-8-16-14(17-10)13-9-21-7-6-18(13)22(19,20)12-4-2-11(15)3-5-12/h2-5,8,13H,6-7,9H2,1H3,(H,16,17)
InChIKeyRZAREZBFYMATIB-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.13
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine

4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 110105562) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID110105562
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2COCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C14H16ClN3O3S/c1-10-8-16-14(17-10)13-9-21-7-6-18(13)22(19,20)12-4-2-11(15)3-5-12/h2-5,8,13H,6-7,9H2,1H3,(H,16,17)
InChIKeyRZAREZBFYMATIB-UHFFFAOYSA-N
XLogP2.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine (CID 110105562) is 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc(C2COCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is RZAREZBFYMATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-10-8-16-14(17-10)13-9-21-7-6-18(13)22(19,20)12-4-2-11(15)3-5-12/h2-5,8,13H,6-7,9H2,1H3,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine?
4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 341.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 110105562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).