2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide

C17H15Cl2FN2O2S — CID 145413292

IUPAC2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(SN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2S/c18-14-10-15(19)16(25-22-4-6-24-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyAYFXVRZGBHNBML-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.72
Rot. Bonds4

About 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide

2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide (PubChem CID 145413292) has the molecular formula C17H15Cl2FN2O2S and a molecular weight of 401.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide
PubChem CID145413292
Molecular FormulaC17H15Cl2FN2O2S
Molecular Weight401.29 g/mol
Exact Mass400.02
IUPAC Name2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(SN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2S/c18-14-10-15(19)16(25-22-4-6-24-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyAYFXVRZGBHNBML-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
4-chloro-2-(furan-2-ylmethylamino)-5-morpholin-4-ylsulfanylbenzoic acid
CID 155747135
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide (CID 145413292) is 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide is O=C(Nc1cccc(F)c1)c1cc(SN2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide?
The InChIKey is AYFXVRZGBHNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2S/c18-14-10-15(19)16(25-22-4-6-24-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide?
2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide has a molecular weight of 401.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfanylbenzamide is sourced from PubChem (CID 145413292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).