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

C16H14FN5O3S — CID 27452407

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyVVOQHEMMPLKVNN-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.13
Rot. Bonds5

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

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide (PubChem CID 27452407) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
PubChem CID27452407
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyVVOQHEMMPLKVNN-UHFFFAOYSA-N
XLogP1.13
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide (CID 27452407) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The InChIKey is VVOQHEMMPLKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide has a molecular weight of 375.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 27452407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).