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

C16H12ClF2N5O3S — CID 16799269

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12ClF2N5O3S/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)
InChIKeyZAFYFKRTAPKSCZ-UHFFFAOYSA-N
MW427.82 g/mol
LogP2.24
Rot. Bonds6

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

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide (PubChem CID 16799269) has the molecular formula C16H12ClF2N5O3S and a molecular weight of 427.82 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
PubChem CID16799269
Molecular FormulaC16H12ClF2N5O3S
Molecular Weight427.82 g/mol
Exact Mass427.03
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12ClF2N5O3S/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)
InChIKeyZAFYFKRTAPKSCZ-UHFFFAOYSA-N
XLogP2.24
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2-(methylsulfonyl)benzamide
CID 16030227
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide
CID 9106498
2-((difluoromethyl)thio)-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 16799312
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2,6-difluorobenzamide
CID 41568098
2-(ethylthio)-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 18565650
N-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
CID 22579926
(2-(methylsulfonyl)phenyl)(4-((1-phenyl-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30857755
2-((difluoromethyl)sulfonyl)-N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 16799170
2-((difluoromethyl)sulfonyl)-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 16799313
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2-(trifluoromethyl)benzamide
CID 18565687
2-((difluoromethyl)sulfonyl)-N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 18565787
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-methanesulfonylbenzamide
CID 27452407

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide (CID 16799269) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The InChIKey is ZAFYFKRTAPKSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O3S/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 N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide has a molecular weight of 427.82 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 16799269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).