5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

C14H13ClN4O2S — CID 18140859

IUPAC5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESCOc1ccc(Cl)cc1CSc1nnnn1Cc1ccco1
InChIInChI=1S/C14H13ClN4O2S/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3
InChIKeyCJPRNSKDKIWAGM-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.27
Rot. Bonds6

About 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (PubChem CID 18140859) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
PubChem CID18140859
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESCOc1ccc(Cl)cc1CSc1nnnn1Cc1ccco1
InChIInChI=1S/C14H13ClN4O2S/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3
InChIKeyCJPRNSKDKIWAGM-UHFFFAOYSA-N
XLogP3.27
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 42140180
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 18140780
2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790276
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
methyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate
CID 31032427
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 43040807
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
CID 17481501
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46694179
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 42140787
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (CID 18140859) is 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is COc1ccc(Cl)cc1CSc1nnnn1Cc1ccco1.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The InChIKey is CJPRNSKDKIWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3.
What are the key properties of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole has a molecular weight of 336.80 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is sourced from PubChem (CID 18140859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).