N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide

C14H11ClN6OS — CID 6459133

IUPACN-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccnc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN6OS/c15-10-3-1-4-11(7-10)17-13(22)9-23-14-18-19-20-21(14)12-5-2-6-16-8-12/h1-8H,9H2,(H,17,22)
InChIKeyXKKZYUURZIJIEL-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.44
Rot. Bonds5

About N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide

N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 6459133) has the molecular formula C14H11ClN6OS and a molecular weight of 346.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
PubChem CID6459133
Molecular FormulaC14H11ClN6OS
Molecular Weight346.80 g/mol
Exact Mass346.04
IUPAC NameN-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccnc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN6OS/c15-10-3-1-4-11(7-10)17-13(22)9-23-14-18-19-20-21(14)12-5-2-6-16-8-12/h1-8H,9H2,(H,17,22)
InChIKeyXKKZYUURZIJIEL-UHFFFAOYSA-N
XLogP2.44
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide (CID 6459133) is N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccnc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XKKZYUURZIJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6OS/c15-10-3-1-4-11(7-10)17-13(22)9-23-14-18-19-20-21(14)12-5-2-6-16-8-12/h1-8H,9H2,(H,17,22).
What are the key properties of N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 346.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 6459133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).