4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol

C16H15ClN4OS — CID 60591812

IUPAC4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
SMILESCCC(Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-15(11-3-5-12(17)6-4-11)23-16-18-19-20-21(16)13-7-9-14(22)10-8-13/h3-10,15,22H,2H2,1H3
InChIKeyKOSPZXULBMLCBE-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.26
Rot. Bonds5

About 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol

4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 60591812) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
PubChem CID60591812
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
SMILESCCC(Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-15(11-3-5-12(17)6-4-11)23-16-18-19-20-21(16)13-7-9-14(22)10-8-13/h3-10,15,22H,2H2,1H3
InChIKeyKOSPZXULBMLCBE-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
CID 7629751
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
4-[5-(4-methoxybutan-2-ylsulfanyl)tetrazol-1-yl]phenol
CID 115687845
ethyl (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetate
CID 7474075
3-[1-(4-chlorophenyl)propylsulfanyl]-4-methyl-1,2,4-triazole
CID 60591920
propan-2-yl 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetate
CID 47095765
1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
CID 7856922

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol (CID 60591812) is 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol is CCC(Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is KOSPZXULBMLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-2-15(11-3-5-12(17)6-4-11)23-16-18-19-20-21(16)13-7-9-14(22)10-8-13/h3-10,15,22H,2H2,1H3.
What are the key properties of 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 346.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 60591812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).