N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

C19H21FN2O4S — CID 8502036

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-21(14-15-2-6-17(20)7-3-15)19(23)16-4-8-18(9-5-16)27(24,25)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3
InChIKeyRDRGCZBGXICUAC-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.12
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 8502036) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID8502036
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-21(14-15-2-6-17(20)7-3-15)19(23)16-4-8-18(9-5-16)27(24,25)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3
InChIKeyRDRGCZBGXICUAC-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-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9195406
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521425
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 42979506
[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (CID 8502036) is N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RDRGCZBGXICUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-21(14-15-2-6-17(20)7-3-15)19(23)16-4-8-18(9-5-16)27(24,25)22-10-12-26-13-11-22/h2-9H,10-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4-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-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8502036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).