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

C15H11FN6O3S — CID 5275034

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN6O3S/c16-10-5-1-3-7-12(10)21-15(18-19-20-21)26-9-14(23)17-11-6-2-4-8-13(11)22(24)25/h1-8H,9H2,(H,17,23)
InChIKeyCSHFQBOKBGKHRF-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.44
Rot. Bonds6

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

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 5275034) has the molecular formula C15H11FN6O3S and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID5275034
Molecular FormulaC15H11FN6O3S
Molecular Weight374.36 g/mol
Exact Mass374.06
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN6O3S/c16-10-5-1-3-7-12(10)21-15(18-19-20-21)26-9-14(23)17-11-6-2-4-8-13(11)22(24)25/h1-8H,9H2,(H,17,23)
InChIKeyCSHFQBOKBGKHRF-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-mesityl-1H-tetrazol-5-ylthio)-N-(2-nitrophenyl)acetamide
CID 5275061
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
CID 4105778
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275035
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275042
2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275043
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275064
2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956705
2-[1-(2-chloro-5-fluoro-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956707
2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956708
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (CID 5275034) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1nnnn1-c1ccccc1F)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is CSHFQBOKBGKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O3S/c16-10-5-1-3-7-12(10)21-15(18-19-20-21)26-9-14(23)17-11-6-2-4-8-13(11)22(24)25/h1-8H,9H2,(H,17,23).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-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-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 5275034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).