N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide

C18H19FN2O4S — CID 2712753

IUPACN-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-16-6-4-14(5-7-16)13-20-18(22)15-2-1-3-17(12-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyAAZULRUFJCEWGU-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.78
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2712753) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2712753
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-16-6-4-14(5-7-16)13-20-18(22)15-2-1-3-17(12-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyAAZULRUFJCEWGU-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2712753) is N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AAZULRUFJCEWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-16-6-4-14(5-7-16)13-20-18(22)15-2-1-3-17(12-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2712753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).