2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide

C19H21FN2O4S — CID 2302171

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c20-18-7-6-16(27(24,25)22-10-12-26-13-11-22)14-17(18)19(23)21-9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23)
InChIKeyGIBDYKQSXREUKW-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.82
Rot. Bonds6

About 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide

2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 2302171) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
PubChem CID2302171
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c20-18-7-6-16(27(24,25)22-10-12-26-13-11-22)14-17(18)19(23)21-9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23)
InChIKeyGIBDYKQSXREUKW-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
INO-1001 free base
CID 9889396
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
3-(3,4-Dihydroisoquinolin-2(1h)-Ylsulfonyl)-N-Methylbenzamide
CID 1217101
4-sulfamoyl-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 10385283

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide (CID 2302171) is 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is GIBDYKQSXREUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c20-18-7-6-16(27(24,25)22-10-12-26-13-11-22)14-17(18)19(23)21-9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23).
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2302171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).