N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide

C17H15ClF2N2O4S — CID 55375493

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)ccc1F
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-3-2-12(21-17(23)13-9-11(19)1-4-15(13)20)10-16(14)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyVROJFOHVKRJFSG-UHFFFAOYSA-N
MW416.83 g/mol
LogP2.89
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide (PubChem CID 55375493) has the molecular formula C17H15ClF2N2O4S and a molecular weight of 416.83 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
PubChem CID55375493
Molecular FormulaC17H15ClF2N2O4S
Molecular Weight416.83 g/mol
Exact Mass416.04
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)ccc1F
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-3-2-12(21-17(23)13-9-11(19)1-4-15(13)20)10-16(14)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyVROJFOHVKRJFSG-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide (CID 55375493) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)ccc1F.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide?
The InChIKey is VROJFOHVKRJFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4S/c18-14-3-2-12(21-17(23)13-9-11(19)1-4-15(13)20)10-16(14)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 N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide has a molecular weight of 416.83 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 55375493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).