2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

C18H18F2N2O4S — CID 51189803

IUPAC2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-15-2-1-3-16(20)17(15)18(23)21-12-13-4-6-14(7-5-13)27(24,25)22-8-10-26-11-9-22/h1-7H,8-12H2,(H,21,23)
InChIKeyQGOQOMPIZPTEGC-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.92
Rot. Bonds5

About 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (PubChem CID 51189803) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
PubChem CID51189803
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-15-2-1-3-16(20)17(15)18(23)21-12-13-4-6-14(7-5-13)27(24,25)22-8-10-26-11-9-22/h1-7H,8-12H2,(H,21,23)
InChIKeyQGOQOMPIZPTEGC-UHFFFAOYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
2-chloro-6-fluoro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide
CID 108736084
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 55859557
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (CID 51189803) is 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is QGOQOMPIZPTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-15-2-1-3-16(20)17(15)18(23)21-12-13-4-6-14(7-5-13)27(24,25)22-8-10-26-11-9-22/h1-7H,8-12H2,(H,21,23).
What are the key properties of 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 51189803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).