2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

C13H14ClN5O3S — CID 4852961

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN5O3S/c14-10-3-1-9(2-4-10)13-16-18-19(17-13)7-12(20)15-11-5-6-23(21,22)8-11/h1-4,11H,5-8H2,(H,15,20)
InChIKeyCWLVQDXMPPQQSZ-UHFFFAOYSA-N
MW355.81 g/mol
LogP0.30
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4852961) has the molecular formula C13H14ClN5O3S and a molecular weight of 355.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4852961
Molecular FormulaC13H14ClN5O3S
Molecular Weight355.81 g/mol
Exact Mass355.05
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN5O3S/c14-10-3-1-9(2-4-10)13-16-18-19(17-13)7-12(20)15-11-5-6-23(21,22)8-11/h1-4,11H,5-8H2,(H,15,20)
InChIKeyCWLVQDXMPPQQSZ-UHFFFAOYSA-N
XLogP0.30
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4852961) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is CWLVQDXMPPQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O3S/c14-10-3-1-9(2-4-10)13-16-18-19(17-13)7-12(20)15-11-5-6-23(21,22)8-11/h1-4,11H,5-8H2,(H,15,20).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 355.81 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4852961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).