N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C15H11F4N5O2S — CID 16809052

IUPACN-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F4N5O2S/c16-10-4-3-5-11(8-10)24-14(21-22-23-24)9-20-27(25,26)13-7-2-1-6-12(13)15(17,18)19/h1-8,20H,9H2
InChIKeySJZFZMDWDOJXFB-UHFFFAOYSA-N
MW401.35 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 16809052) has the molecular formula C15H11F4N5O2S and a molecular weight of 401.35 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID16809052
Molecular FormulaC15H11F4N5O2S
Molecular Weight401.35 g/mol
Exact Mass401.06
IUPAC NameN-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F4N5O2S/c16-10-4-3-5-11(8-10)24-14(21-22-23-24)9-20-27(25,26)13-7-2-1-6-12(13)15(17,18)19/h1-8,20H,9H2
InChIKeySJZFZMDWDOJXFB-UHFFFAOYSA-N
XLogP2.30
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 16809052) is N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SJZFZMDWDOJXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O2S/c16-10-4-3-5-11(8-10)24-14(21-22-23-24)9-20-27(25,26)13-7-2-1-6-12(13)15(17,18)19/h1-8,20H,9H2.
What are the key properties of N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 16809052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).