1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one

C21H16ClN5OS — CID 5275153

IUPAC1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2-c2cccc3ccccc23)CCN1c1ccccc1Cl
InChIInChI=1S/C21H16ClN5OS/c22-16-9-3-4-10-18(16)26-13-12-19(20(26)28)29-21-23-24-25-27(21)17-11-5-7-14-6-1-2-8-15(14)17/h1-11,19H,12-13H2
InChIKeyAIIUEKKEFVIGGZ-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one

1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one (PubChem CID 5275153) has the molecular formula C21H16ClN5OS and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one
PubChem CID5275153
Molecular FormulaC21H16ClN5OS
Molecular Weight421.91 g/mol
Exact Mass421.08
IUPAC Name1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2-c2cccc3ccccc23)CCN1c1ccccc1Cl
InChIInChI=1S/C21H16ClN5OS/c22-16-9-3-4-10-18(16)26-13-12-19(20(26)28)29-21-23-24-25-27(21)17-11-5-7-14-6-1-2-8-15(14)17/h1-11,19H,12-13H2
InChIKeyAIIUEKKEFVIGGZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1251070
1-Pyrrolidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228994
1-Piperidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228995
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2610393
N-(2,4-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275096
1-(2-Chloroanilino)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propan-2-ol
CID 5275138
N-(2,3-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275093
N-(3-chloro-2-fluoro-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275094
N-(2-chloro-4-phenyl-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275100
N-(2-chloro-4-cyano-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275101
N-(2,6-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275103

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one (CID 5275153) is 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one is O=C1C(Sc2nnnn2-c2cccc3ccccc23)CCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one?
The InChIKey is AIIUEKKEFVIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5OS/c22-16-9-3-4-10-18(16)26-13-12-19(20(26)28)29-21-23-24-25-27(21)17-11-5-7-14-6-1-2-8-15(14)17/h1-11,19H,12-13H2.
What are the key properties of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one?
1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one has a molecular weight of 421.91 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpyrrolidin-2-one is sourced from PubChem (CID 5275153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).