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

C17H17FN2O4S — CID 1379158

IUPACN-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-14-4-2-5-15(12-14)19-17(21)13-3-1-6-16(11-13)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyVEBLVGTTXCIRFH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.10
Rot. Bonds4

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

N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1379158) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1379158
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-14-4-2-5-15(12-14)19-17(21)13-3-1-6-16(11-13)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyVEBLVGTTXCIRFH-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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Related Compounds

4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 89663273
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1379158) is N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VEBLVGTTXCIRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-4-2-5-15(12-14)19-17(21)13-3-1-6-16(11-13)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(3-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-(3-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1379158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).