4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine

C21H21NO4S — CID 5325399

IUPAC4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-16-7-9-18(10-8-16)27(23,24)20-15-19(17-5-3-2-4-6-17)21(26-20)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3
InChIKeyYUTHIRWXDCMKFQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.92
Rot. Bonds4

About 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine

4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine (PubChem CID 5325399) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine
PubChem CID5325399
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-16-7-9-18(10-8-16)27(23,24)20-15-19(17-5-3-2-4-6-17)21(26-20)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3
InChIKeyYUTHIRWXDCMKFQ-UHFFFAOYSA-N
XLogP3.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine?
The IUPAC name of 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine (CID 5325399) is 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine is Cc1ccc(S(=O)(=O)c2cc(-c3ccccc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine?
The InChIKey is YUTHIRWXDCMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-16-7-9-18(10-8-16)27(23,24)20-15-19(17-5-3-2-4-6-17)21(26-20)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine?
4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine has a molecular weight of 383.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)sulfonyl-3-phenylfuran-2-yl]morpholine is sourced from PubChem (CID 5325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).