2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

C16H12F3N5O3S — CID 16799313

IUPAC2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12F3N5O3S/c17-10-5-7-11(8-6-10)24-14(21-22-23-24)9-20-15(25)12-3-1-2-4-13(12)28(26,27)16(18)19/h1-8,16H,9H2,(H,20,25)
InChIKeyBJYZENBHCNSASU-UHFFFAOYSA-N
MW411.37 g/mol
LogP1.73
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 16799313) has the molecular formula C16H12F3N5O3S and a molecular weight of 411.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID16799313
Molecular FormulaC16H12F3N5O3S
Molecular Weight411.37 g/mol
Exact Mass411.06
IUPAC Name2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12F3N5O3S/c17-10-5-7-11(8-6-10)24-14(21-22-23-24)9-20-15(25)12-3-1-2-4-13(12)28(26,27)16(18)19/h1-8,16H,9H2,(H,20,25)
InChIKeyBJYZENBHCNSASU-UHFFFAOYSA-N
XLogP1.73
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (CID 16799313) is 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is BJYZENBHCNSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3S/c17-10-5-7-11(8-6-10)24-14(21-22-23-24)9-20-15(25)12-3-1-2-4-13(12)28(26,27)16(18)19/h1-8,16H,9H2,(H,20,25).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 411.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 16799313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).