2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide

C17H15F3N2O4S — CID 55341430

IUPAC2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O4S/c18-11-1-3-13(15(20)9-11)17(23)21-12-2-4-14(19)16(10-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyWDATVGIKFULKNH-UHFFFAOYSA-N
MW400.38 g/mol
LogP2.38
Rot. Bonds4

About 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide

2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 55341430) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID55341430
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC Name2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O4S/c18-11-1-3-13(15(20)9-11)17(23)21-12-2-4-14(19)16(10-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyWDATVGIKFULKNH-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 55341430) is 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is WDATVGIKFULKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c18-11-1-3-13(15(20)9-11)17(23)21-12-2-4-14(19)16(10-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide?
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 400.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55341430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).