N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide

C19H21FN2O4S — CID 110343552

IUPACN-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4S/c1-14-13-26-10-9-22(14)27(24,25)18-4-2-3-16(11-18)19(23)21-12-15-5-7-17(20)8-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyBZOKWHFYRUDKLE-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.17
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide

N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343552) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343552
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4S/c1-14-13-26-10-9-22(14)27(24,25)18-4-2-3-16(11-18)19(23)21-12-15-5-7-17(20)8-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyBZOKWHFYRUDKLE-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522
N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55331672
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343552) is N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide is CC1COCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is BZOKWHFYRUDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-14-13-26-10-9-22(14)27(24,25)18-4-2-3-16(11-18)19(23)21-12-15-5-7-17(20)8-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).