5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole

C17H16F2N4O2S2 — CID 133426122

IUPAC5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C17H16F2N4O2S2/c1-11(2)12-3-5-13(6-4-12)23-17(20-21-22-23)26-14-7-9-15(10-8-14)27(24,25)16(18)19/h3-11,16H,1-2H3
InChIKeyFUGRQNPHKXFYRP-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.93
Rot. Bonds6

About 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole

5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole (PubChem CID 133426122) has the molecular formula C17H16F2N4O2S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole
PubChem CID133426122
Molecular FormulaC17H16F2N4O2S2
Molecular Weight410.47 g/mol
Exact Mass410.07
IUPAC Name5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C17H16F2N4O2S2/c1-11(2)12-3-5-13(6-4-12)23-17(20-21-22-23)26-14-7-9-15(10-8-14)27(24,25)16(18)19/h3-11,16H,1-2H3
InChIKeyFUGRQNPHKXFYRP-UHFFFAOYSA-N
XLogP3.93
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
CID 133426507
N-[4-(difluoromethylsulfonyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571051
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
1-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561394
(2S)-N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8915829
4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
CID 15470711
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
(2R)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7713689
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole (CID 133426122) is 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole is CC(C)c1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole?
The InChIKey is FUGRQNPHKXFYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S2/c1-11(2)12-3-5-13(6-4-12)23-17(20-21-22-23)26-14-7-9-15(10-8-14)27(24,25)16(18)19/h3-11,16H,1-2H3.
What are the key properties of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole?
5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole has a molecular weight of 410.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-(4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 133426122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).