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

C15H14FN5O2S — CID 16809078

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN5O2S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15-18-19-20-21(15)13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3
InChIKeyDUTMPKSLKZAHSR-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.59
Rot. Bonds5

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

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 16809078) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID16809078
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN5O2S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15-18-19-20-21(15)13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3
InChIKeyDUTMPKSLKZAHSR-UHFFFAOYSA-N
XLogP1.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide (CID 16809078) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is DUTMPKSLKZAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15-18-19-20-21(15)13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 347.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16809078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).