1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole

C15H12F2N4O2S2 — CID 133426507

IUPAC1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
SMILESO=S(=O)(c1ccc(Sc2nnnn2Cc2ccccc2)cc1)C(F)F
InChIInChI=1S/C15H12F2N4O2S2/c16-14(17)25(22,23)13-8-6-12(7-9-13)24-15-18-19-20-21(15)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyZAWAFGHPIHVJAC-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.87
Rot. Bonds6

About 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole

1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole (PubChem CID 133426507) has the molecular formula C15H12F2N4O2S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole.

Molecular Properties

Compound Name1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
PubChem CID133426507
Molecular FormulaC15H12F2N4O2S2
Molecular Weight382.42 g/mol
Exact Mass382.04
IUPAC Name1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
SMILESO=S(=O)(c1ccc(Sc2nnnn2Cc2ccccc2)cc1)C(F)F
InChIInChI=1S/C15H12F2N4O2S2/c16-14(17)25(22,23)13-8-6-12(7-9-13)24-15-18-19-20-21(15)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyZAWAFGHPIHVJAC-UHFFFAOYSA-N
XLogP2.87
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole
CID 133426122
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47124187
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
1-benzyl-5-chlorotetrazole
CID 46835417
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-2-fluorobenzene
CID 133425004
2-(1-benzyltetrazol-5-yl)sulfanyl-4-phenyl-1,3-thiazole
CID 18708946
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
3-[5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 133443995
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
CID 133428577
5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 133425620
4-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 112802870

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The IUPAC name of 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole (CID 133426507) is 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole.
What is the SMILES notation for 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The canonical SMILES for 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole is O=S(=O)(c1ccc(Sc2nnnn2Cc2ccccc2)cc1)C(F)F.
What is the InChIKey of 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The InChIKey is ZAWAFGHPIHVJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2S2/c16-14(17)25(22,23)13-8-6-12(7-9-13)24-15-18-19-20-21(15)10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole?
1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole has a molecular weight of 382.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole is sourced from PubChem (CID 133426507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).