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

C19H21FN2O4S — CID 9336448

IUPACN-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-21(14-15-5-3-2-4-6-15)19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyKOTLUXVHKYCKFA-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.12
Rot. Bonds5

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

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 9336448) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID9336448
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-21(14-15-5-3-2-4-6-15)19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyKOTLUXVHKYCKFA-UHFFFAOYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 51113554
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55970027
N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 3352580
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2123086
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 9336448) is N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KOTLUXVHKYCKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-21(14-15-5-3-2-4-6-15)19(23)17-13-16(7-8-18(17)20)27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9336448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).