N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide

C16H15F2N5O3S — CID 16820039

IUPACN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2N5O3S/c1-2-26-13-6-4-12(5-7-13)23-16(20-21-22-23)10-19-27(24,25)15-8-3-11(17)9-14(15)18/h3-9,19H,2,10H2,1H3
InChIKeyZHDLZKQCIICRSS-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.82
Rot. Bonds7

About N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 16820039) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
PubChem CID16820039
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2N5O3S/c1-2-26-13-6-4-12(5-7-13)23-16(20-21-22-23)10-19-27(24,25)15-8-3-11(17)9-14(15)18/h3-9,19H,2,10H2,1H3
InChIKeyZHDLZKQCIICRSS-UHFFFAOYSA-N
XLogP1.82
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16919655
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16809052
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide (CID 16820039) is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide is CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ZHDLZKQCIICRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-2-26-13-6-4-12(5-7-13)23-16(20-21-22-23)10-19-27(24,25)15-8-3-11(17)9-14(15)18/h3-9,19H,2,10H2,1H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide?
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 395.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 16820039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).