2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone

C21H21FN2O4S — CID 2053114

IUPAC2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H21FN2O4S/c22-17-5-3-4-16(12-17)13-24-14-20(18-6-1-2-7-19(18)24)29(26,27)15-21(25)23-8-10-28-11-9-23/h1-7,12,14H,8-11,13,15H2
InChIKeyXZXZPLQKCGZTOY-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone

2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone (PubChem CID 2053114) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone
PubChem CID2053114
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H21FN2O4S/c22-17-5-3-4-16(12-17)13-24-14-20(18-6-1-2-7-19(18)24)29(26,27)15-21(25)23-8-10-28-11-9-23/h1-7,12,14H,8-11,13,15H2
InChIKeyXZXZPLQKCGZTOY-UHFFFAOYSA-N
XLogP2.46
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone (CID 2053114) is 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone is O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCOCC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone?
The InChIKey is XZXZPLQKCGZTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c22-17-5-3-4-16(12-17)13-24-14-20(18-6-1-2-7-19(18)24)29(26,27)15-21(25)23-8-10-28-11-9-23/h1-7,12,14H,8-11,13,15H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone?
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone has a molecular weight of 416.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 2053114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).