1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone

C21H14ClN5OS — CID 3550030

IUPAC1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H14ClN5OS/c22-14-9-11-15(12-10-14)27-21(23-24-25-27)29-13-20(28)26-18-7-3-1-5-16(18)17-6-2-4-8-19(17)26/h1-12H,13H2
InChIKeyCNVVZLPUVASOSO-UHFFFAOYSA-N
MW419.90 g/mol
LogP4.86
Rot. Bonds4

About 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone

1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 3550030) has the molecular formula C21H14ClN5OS and a molecular weight of 419.90 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID3550030
Molecular FormulaC21H14ClN5OS
Molecular Weight419.90 g/mol
Exact Mass419.06
IUPAC Name1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H14ClN5OS/c22-14-9-11-15(12-10-14)27-21(23-24-25-27)29-13-20(28)26-18-7-3-1-5-16(18)17-6-2-4-8-19(17)26/h1-12H,13H2
InChIKeyCNVVZLPUVASOSO-UHFFFAOYSA-N
XLogP4.86
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.90
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 4812098
1-(azepan-1-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3996030
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 817369
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
CID 4031068
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2610511
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 2610330
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 4809640
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CID 47095766
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 27025364
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 2610107
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
propan-2-yl 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetate
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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone (CID 3550030) is 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1ccc(Cl)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is CNVVZLPUVASOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5OS/c22-14-9-11-15(12-10-14)27-21(23-24-25-27)29-13-20(28)26-18-7-3-1-5-16(18)17-6-2-4-8-19(17)26/h1-12H,13H2.
What are the key properties of 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 419.90 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 3550030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).