2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide

C15H11FN6O3S — CID 2980261

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11FN6O3S/c16-10-1-5-12(6-2-10)21-15(18-19-20-21)26-9-14(23)17-11-3-7-13(8-4-11)22(24)25/h1-8H,9H2,(H,17,23)
InChIKeyNTTPXMOZNOCTAM-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.44
Rot. Bonds6

About 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide

2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide (PubChem CID 2980261) has the molecular formula C15H11FN6O3S and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide
PubChem CID2980261
Molecular FormulaC15H11FN6O3S
Molecular Weight374.36 g/mol
Exact Mass374.06
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11FN6O3S/c16-10-1-5-12(6-2-10)21-15(18-19-20-21)26-9-14(23)17-11-3-7-13(8-4-11)22(24)25/h1-8H,9H2,(H,17,23)
InChIKeyNTTPXMOZNOCTAM-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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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275035
N-(2-methyl-4-nitro-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11647258
2-[1-(2-chloro-5-fluoro-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956707
2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one
CID 135420406
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
1-(4-nitrophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927216
2-(1-Phenyltetrazol-5-yl)sulfanylacetamide
CID 716331
N-cyclohexyl-2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 859398
N-(2-Fluoro-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859399

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide (CID 2980261) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide is O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide?
The InChIKey is NTTPXMOZNOCTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O3S/c16-10-1-5-12(6-2-10)21-15(18-19-20-21)26-9-14(23)17-11-3-7-13(8-4-11)22(24)25/h1-8H,9H2,(H,17,23).
What are the key properties of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide?
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide 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 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2980261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).