1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole

C11H9F3N4O2S2 — CID 55638348

IUPAC1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole
SMILESO=S(=O)(c1ccccc1Sc1nnnn1C1CC1)C(F)(F)F
InChIInChI=1S/C11H9F3N4O2S2/c12-11(13,14)22(19,20)9-4-2-1-3-8(9)21-10-15-16-17-18(10)7-5-6-7/h1-4,7H,5-6H2
InChIKeyUSVFWWRHNQEVDS-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole

1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole (PubChem CID 55638348) has the molecular formula C11H9F3N4O2S2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole
PubChem CID55638348
Molecular FormulaC11H9F3N4O2S2
Molecular Weight350.35 g/mol
Exact Mass350.01
IUPAC Name1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole
SMILESO=S(=O)(c1ccccc1Sc1nnnn1C1CC1)C(F)(F)F
InChIInChI=1S/C11H9F3N4O2S2/c12-11(13,14)22(19,20)9-4-2-1-3-8(9)21-10-15-16-17-18(10)7-5-6-7/h1-4,7H,5-6H2
InChIKeyUSVFWWRHNQEVDS-UHFFFAOYSA-N
XLogP2.45
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The IUPAC name of 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole (CID 55638348) is 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The canonical SMILES for 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole is O=S(=O)(c1ccccc1Sc1nnnn1C1CC1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole?
The InChIKey is USVFWWRHNQEVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S2/c12-11(13,14)22(19,20)9-4-2-1-3-8(9)21-10-15-16-17-18(10)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole?
1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole has a molecular weight of 350.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[2-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole is sourced from PubChem (CID 55638348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).