5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole

C14H10ClN5O2S — CID 9110718

IUPAC5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN5O2S/c1-9-4-2-3-5-11(9)19-14(16-17-18-19)23-13-7-6-10(15)8-12(13)20(21)22/h2-8H,1H3
InChIKeyZLSBBOVBLOCDHC-UHFFFAOYSA-N
MW347.79 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole

5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole (PubChem CID 9110718) has the molecular formula C14H10ClN5O2S and a molecular weight of 347.79 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole
PubChem CID9110718
Molecular FormulaC14H10ClN5O2S
Molecular Weight347.79 g/mol
Exact Mass347.02
IUPAC Name5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN5O2S/c1-9-4-2-3-5-11(9)19-14(16-17-18-19)23-13-7-6-10(15)8-12(13)20(21)22/h2-8H,1H3
InChIKeyZLSBBOVBLOCDHC-UHFFFAOYSA-N
XLogP3.68
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]sulfonylpiperazine
CID 4841337
4-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzaldehyde
CID 9338829
1-(4-methyl-3-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7646516
1-[4-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]ethanone
CID 9338926
3-(4-chloro-2-nitrophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 56772720
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
(2R)-1-(4-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8521893
N-(2-methyl-6-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646147
(2S)-N-(2,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646712
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
N-(3-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508638
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole (CID 9110718) is 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole is Cc1ccccc1-n1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole?
The InChIKey is ZLSBBOVBLOCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2S/c1-9-4-2-3-5-11(9)19-14(16-17-18-19)23-13-7-6-10(15)8-12(13)20(21)22/h2-8H,1H3.
What are the key properties of 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole?
5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole has a molecular weight of 347.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-nitrophenyl)sulfanyl-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 9110718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).