2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

C15H13F2N5O2S — CID 16809029

IUPAC2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2N5O2S/c1-10-2-5-12(6-3-10)22-15(19-20-21-22)9-18-25(23,24)14-7-4-11(16)8-13(14)17/h2-8,18H,9H2,1H3
InChIKeyLRHOUMUIUNVIHI-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.73
Rot. Bonds5

About 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 16809029) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID16809029
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC Name2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2N5O2S/c1-10-2-5-12(6-3-10)22-15(19-20-21-22)9-18-25(23,24)14-7-4-11(16)8-13(14)17/h2-8,18H,9H2,1H3
InChIKeyLRHOUMUIUNVIHI-UHFFFAOYSA-N
XLogP1.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 16809029) is 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is LRHOUMUIUNVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c1-10-2-5-12(6-3-10)22-15(19-20-21-22)9-18-25(23,24)14-7-4-11(16)8-13(14)17/h2-8,18H,9H2,1H3.
What are the key properties of 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 365.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16809029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).