N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H12ClN5O2S — CID 1259989

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClN5O2S/c16-10-6-7-13(22)12(8-10)17-14(23)9-24-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8,22H,9H2,(H,17,23)
InChIKeyPSQIWRRHPAIPNX-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.75
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1259989) has the molecular formula C15H12ClN5O2S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1259989
Molecular FormulaC15H12ClN5O2S
Molecular Weight361.81 g/mol
Exact Mass361.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClN5O2S/c16-10-6-7-13(22)12(8-10)17-14(23)9-24-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8,22H,9H2,(H,17,23)
InChIKeyPSQIWRRHPAIPNX-UHFFFAOYSA-N
XLogP2.75
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1259989) is N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PSQIWRRHPAIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S/c16-10-6-7-13(22)12(8-10)17-14(23)9-24-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8,22H,9H2,(H,17,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 361.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1259989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).