2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

C13H10ClN5OS — CID 27025364

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H10ClN5OS/c14-9-3-5-10(6-4-9)19-13(16-17-18-19)21-8-12(20)11-2-1-7-15-11/h1-7,15H,8H2
InChIKeyVZBSZFNOFJPREX-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 27025364) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
PubChem CID27025364
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H10ClN5OS/c14-9-3-5-10(6-4-9)19-13(16-17-18-19)21-8-12(20)11-2-1-7-15-11/h1-7,15H,8H2
InChIKeyVZBSZFNOFJPREX-UHFFFAOYSA-N
XLogP2.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 17445673
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31118650
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 2610107
1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3550030
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 2610082

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone (CID 27025364) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone is O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is VZBSZFNOFJPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-9-3-5-10(6-4-9)19-13(16-17-18-19)21-8-12(20)11-2-1-7-15-11/h1-7,15H,8H2.
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 319.78 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 27025364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).