N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H11FN6O3S — CID 2365032

IUPACN-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H11FN6O3S/c16-12-7-6-11(22(24)25)8-13(12)17-14(23)9-26-15-18-19-20-21(15)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,23)
InChIKeyCJOONYSRRUXIKD-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.44
Rot. Bonds6

About N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2365032) has the molecular formula C15H11FN6O3S and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2365032
Molecular FormulaC15H11FN6O3S
Molecular Weight374.36 g/mol
Exact Mass374.06
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H11FN6O3S/c16-12-7-6-11(22(24)25)8-13(12)17-14(23)9-26-15-18-19-20-21(15)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,23)
InChIKeyCJOONYSRRUXIKD-UHFFFAOYSA-N
XLogP2.44
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.44
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2365032) is N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CJOONYSRRUXIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O3S/c16-12-7-6-11(22(24)25)8-13(12)17-14(23)9-26-15-18-19-20-21(15)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,23).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 374.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2365032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).