N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H11FN6O3S — CID 576274

IUPACN-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11FN6O3S/c16-12-7-6-10(8-13(12)22(24)25)17-14(23)9-26-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,23)
InChIKeyONGLYCZBWVPEMD-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.44
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 576274) has the molecular formula C15H11FN6O3S and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID576274
Molecular FormulaC15H11FN6O3S
Molecular Weight374.36 g/mol
Exact Mass374.06
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11FN6O3S/c16-12-7-6-10(8-13(12)22(24)25)17-14(23)9-26-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,23)
InChIKeyONGLYCZBWVPEMD-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-methyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 689210
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-(3-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11646959
2-[1-(2-chloro-5-fluoro-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956707
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
N-(3-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4431733
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
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamide
CID 673050
N-(3,4-difluorophenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 807739

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 576274) is N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ONGLYCZBWVPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O3S/c16-12-7-6-10(8-13(12)22(24)25)17-14(23)9-26-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,23).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(4-fluoro-3-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-(4-fluoro-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 576274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).