N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H17FN2O4S — CID 1119033

IUPACN-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-3-16(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyJTJBKTZEDIYAFU-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.10
Rot. Bonds4

About N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1119033) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1119033
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-3-16(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyJTJBKTZEDIYAFU-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1119033) is N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JTJBKTZEDIYAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-3-16(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 364.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1119033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).