4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

C15H12ClN5OS — CID 759628

IUPAC4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)
InChIKeyDIVZBAGJCIOHKB-UHFFFAOYSA-N
MW345.82 g/mol
LogP2.71
Rot. Bonds5

About 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (PubChem CID 759628) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
PubChem CID759628
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC Name4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)
InChIKeyDIVZBAGJCIOHKB-UHFFFAOYSA-N
XLogP2.71
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (CID 759628) is 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The InChIKey is DIVZBAGJCIOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22).
What are the key properties of 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide has a molecular weight of 345.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is sourced from PubChem (CID 759628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).