1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one

C20H22FNO4S — CID 37435664

IUPAC1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FNO4S/c1-15-2-8-18(9-3-15)27(24,25)13-10-20(23)22-11-12-26-19(14-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3/t19-/m0/s1
InChIKeyNXCGQKFWDTVOGM-IBGZPJMESA-N
MW391.46 g/mol
LogP2.90
Rot. Bonds5

About 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one

1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 37435664) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID37435664
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FNO4S/c1-15-2-8-18(9-3-15)27(24,25)13-10-20(23)22-11-12-26-19(14-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3/t19-/m0/s1
InChIKeyNXCGQKFWDTVOGM-IBGZPJMESA-N
XLogP2.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one (CID 37435664) is 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is NXCGQKFWDTVOGM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-15-2-8-18(9-3-15)27(24,25)13-10-20(23)22-11-12-26-19(14-22)16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one?
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 391.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 37435664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).