2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

C14H10Cl2N6OS — CID 2610055

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccnc1Cl
InChIInChI=1S/C14H10Cl2N6OS/c15-9-3-5-10(6-4-9)22-14(19-20-21-22)24-8-12(23)18-11-2-1-7-17-13(11)16/h1-7H,8H2,(H,18,23)
InChIKeyFTJVCHCLGTVWIO-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.09
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 2610055) has the molecular formula C14H10Cl2N6OS and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID2610055
Molecular FormulaC14H10Cl2N6OS
Molecular Weight381.25 g/mol
Exact Mass380.00
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccnc1Cl
InChIInChI=1S/C14H10Cl2N6OS/c15-9-3-5-10(6-4-9)22-14(19-20-21-22)24-8-12(23)18-11-2-1-7-17-13(11)16/h1-7H,8H2,(H,18,23)
InChIKeyFTJVCHCLGTVWIO-UHFFFAOYSA-N
XLogP3.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (CID 2610055) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccnc1Cl.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is FTJVCHCLGTVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6OS/c15-9-3-5-10(6-4-9)22-14(19-20-21-22)24-8-12(23)18-11-2-1-7-17-13(11)16/h1-7H,8H2,(H,18,23).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 381.25 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 2610055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).