4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide

C14H10F3N3O3S — CID 6736191

IUPAC4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H10F3N3O3S/c15-11-6-13(17)12(16)5-9(11)7-19-20-14(21)8-1-3-10(4-2-8)24(18,22)23/h1-7H,(H,20,21)(H2,18,22,23)
InChIKeySEPSRCGEOCFFEL-UHFFFAOYSA-N
MW357.31 g/mol
LogP1.52
Rot. Bonds4

About 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide

4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide (PubChem CID 6736191) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
PubChem CID6736191
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC Name4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H10F3N3O3S/c15-11-6-13(17)12(16)5-9(11)7-19-20-14(21)8-1-3-10(4-2-8)24(18,22)23/h1-7H,(H,20,21)(H2,18,22,23)
InChIKeySEPSRCGEOCFFEL-UHFFFAOYSA-N
XLogP1.52
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199
N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide
CID 6736304
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466047
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide (CID 6736191) is 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide is NS(=O)(=O)c1ccc(C(=O)NN=Cc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide?
The InChIKey is SEPSRCGEOCFFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-11-6-13(17)12(16)5-9(11)7-19-20-14(21)8-1-3-10(4-2-8)24(18,22)23/h1-7H,(H,20,21)(H2,18,22,23).
What are the key properties of 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide?
4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide has a molecular weight of 357.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6736191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).