N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H10F2N6O3S — CID 7562862

IUPACN-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10F2N6O3S/c16-9-2-1-3-11(6-9)22-15(19-20-21-22)27-8-14(24)18-10-4-5-12(17)13(7-10)23(25)26/h1-7H,8H2,(H,18,24)
InChIKeyKFTAAJGOOMSOJP-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.58
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7562862) has the molecular formula C15H10F2N6O3S and a molecular weight of 392.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7562862
Molecular FormulaC15H10F2N6O3S
Molecular Weight392.35 g/mol
Exact Mass392.05
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10F2N6O3S/c16-9-2-1-3-11(6-9)22-15(19-20-21-22)27-8-14(24)18-10-4-5-12(17)13(7-10)23(25)26/h1-7H,8H2,(H,18,24)
InChIKeyKFTAAJGOOMSOJP-UHFFFAOYSA-N
XLogP2.58
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 7562862) is N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KFTAAJGOOMSOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6O3S/c16-9-2-1-3-11(6-9)22-15(19-20-21-22)27-8-14(24)18-10-4-5-12(17)13(7-10)23(25)26/h1-7H,8H2,(H,18,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 392.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7562862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).