2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone

C15H16Cl2N4OS — CID 9473318

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CSc1nnnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyWALOVZNAKGYAOY-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.46
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone (PubChem CID 9473318) has the molecular formula C15H16Cl2N4OS and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
PubChem CID9473318
Molecular FormulaC15H16Cl2N4OS
Molecular Weight371.29 g/mol
Exact Mass370.04
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CSc1nnnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyWALOVZNAKGYAOY-UHFFFAOYSA-N
XLogP4.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 1440826
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dichlorophenyl)ethanone
CID 43231253
6-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
CID 14207317
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 5116710
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 18098942
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-iodophenyl)ethanone
CID 27096704
4-chloro-N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 27047554
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 43231278
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone
CID 1452203
3-chloro-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 102670281
2-(cyclopentylmethylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 63407663
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 38841877

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone (CID 9473318) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone is O=C(CSc1nnnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is WALOVZNAKGYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 371.29 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 9473318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).