2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide

C19H21FN2O4S — CID 8712990

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O4S/c1-14(15-5-3-2-4-6-15)21-19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyRBUJTVGIYHQWDD-AWEZNQCLSA-N
MW392.45 g/mol
LogP2.34
Rot. Bonds5

About 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide

2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 8712990) 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-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID8712990
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O4S/c1-14(15-5-3-2-4-6-15)21-19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyRBUJTVGIYHQWDD-AWEZNQCLSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 46513241
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56571984
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide (CID 8712990) is 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is RBUJTVGIYHQWDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-14(15-5-3-2-4-6-15)21-19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 392.45 g/mol, XLogP of 2.34, 5 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-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 8712990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).