N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C18H19FN2O4S — CID 2107276

IUPACN-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyGBMBOMLTRZRBAQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.78
Rot. Bonds5

About N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2107276) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2107276
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyGBMBOMLTRZRBAQ-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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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 2107276) is N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GBMBOMLTRZRBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of N-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-benzyl-2-fluoro-5-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-benzyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2107276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).