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

C15H10Cl2N6O3S — CID 15956705

IUPAC2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N6O3S/c16-9-5-6-10(17)13(7-9)22-15(19-20-21-22)27-8-14(24)18-11-3-1-2-4-12(11)23(25)26/h1-7H,8H2,(H,18,24)
InChIKeyFJBZBBBUUMYHAK-UHFFFAOYSA-N
MW425.26 g/mol
LogP3.61
Rot. Bonds6

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

2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 15956705) has the molecular formula C15H10Cl2N6O3S and a molecular weight of 425.26 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID15956705
Molecular FormulaC15H10Cl2N6O3S
Molecular Weight425.26 g/mol
Exact Mass423.99
IUPAC Name2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N6O3S/c16-9-5-6-10(17)13(7-9)22-15(19-20-21-22)27-8-14(24)18-11-3-1-2-4-12(11)23(25)26/h1-7H,8H2,(H,18,24)
InChIKeyFJBZBBBUUMYHAK-UHFFFAOYSA-N
XLogP3.61
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 53.61
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 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (CID 15956705) is 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1nnnn1-c1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is FJBZBBBUUMYHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6O3S/c16-9-5-6-10(17)13(7-9)22-15(19-20-21-22)27-8-14(24)18-11-3-1-2-4-12(11)23(25)26/h1-7H,8H2,(H,18,24).
What are the key properties of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 425.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 15956705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).