N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide

C15H13FN2O2S — CID 115298723

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)C(NC(=O)c1cc(F)ccc1O)c1ccccc1
InChIInChI=1S/C15H13FN2O2S/c16-10-6-7-12(19)11(8-10)15(20)18-13(14(17)21)9-4-2-1-3-5-9/h1-8,13,19H,(H2,17,21)(H,18,20)
InChIKeyMPLGKANNQUEQKM-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.29
Rot. Bonds4

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298723) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298723
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)C(NC(=O)c1cc(F)ccc1O)c1ccccc1
InChIInChI=1S/C15H13FN2O2S/c16-10-6-7-12(19)11(8-10)15(20)18-13(14(17)21)9-4-2-1-3-5-9/h1-8,13,19H,(H2,17,21)(H,18,20)
InChIKeyMPLGKANNQUEQKM-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3,4-difluorobenzamide
CID 61121577
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
N-(2-amino-1-phenyl-2-sulfanylideneethyl)pyrimidine-5-carboxamide
CID 102921830
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide (CID 115298723) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide is NC(=S)C(NC(=O)c1cc(F)ccc1O)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is MPLGKANNQUEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-10-6-7-12(19)11(8-10)15(20)18-13(14(17)21)9-4-2-1-3-5-9/h1-8,13,19H,(H2,17,21)(H,18,20).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).