2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

C21H24FN3O5S — CID 3356978

IUPAC2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O5S/c22-18-4-2-1-3-17(18)21(26)23-19-15-16(31(27,28)25-9-13-30-14-10-25)5-6-20(19)24-7-11-29-12-8-24/h1-6,15H,7-14H2,(H,23,26)
InChIKeyNRKLVEKYHAFQSP-UHFFFAOYSA-N
MW449.50 g/mol
LogP1.94
Rot. Bonds5

About 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3356978) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3356978
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O5S/c22-18-4-2-1-3-17(18)21(26)23-19-15-16(31(27,28)25-9-13-30-14-10-25)5-6-20(19)24-7-11-29-12-8-24/h1-6,15H,7-14H2,(H,23,26)
InChIKeyNRKLVEKYHAFQSP-UHFFFAOYSA-N
XLogP1.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 3356978) is 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is NRKLVEKYHAFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c22-18-4-2-1-3-17(18)21(26)23-19-15-16(31(27,28)25-9-13-30-14-10-25)5-6-20(19)24-7-11-29-12-8-24/h1-6,15H,7-14H2,(H,23,26).
What are the key properties of 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 449.50 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3356978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).