3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide

C16H13ClFN5OS — CID 16648445

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN5OS/c17-11-1-7-14(8-2-11)23-16(20-21-22-23)25-10-9-15(24)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,24)
InChIKeyJRSHKAANDFBBBK-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.58
Rot. Bonds6

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide

3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 16648445) has the molecular formula C16H13ClFN5OS and a molecular weight of 377.83 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID16648445
Molecular FormulaC16H13ClFN5OS
Molecular Weight377.83 g/mol
Exact Mass377.05
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN5OS/c17-11-1-7-14(8-2-11)23-16(20-21-22-23)25-10-9-15(24)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,24)
InChIKeyJRSHKAANDFBBBK-UHFFFAOYSA-N
XLogP3.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide (CID 16648445) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide is O=C(CCSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is JRSHKAANDFBBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5OS/c17-11-1-7-14(8-2-11)23-16(20-21-22-23)25-10-9-15(24)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,24).
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide?
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 377.83 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 16648445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).