N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H11ClFN5OS — CID 1187967

IUPACN-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN5OS/c16-12-8-10(6-7-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)
InChIKeyDUFXKKMSBLZJSG-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1187967) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1187967
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN5OS/c16-12-8-10(6-7-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)
InChIKeyDUFXKKMSBLZJSG-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1187967) is N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is DUFXKKMSBLZJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c16-12-8-10(6-7-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 363.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1187967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).