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

C15H15N5O2S — CID 22579946

IUPACN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-12-7-9-13(10-8-12)20-15(17-18-19-20)11-16-23(21,22)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyALUDUZQAGUUZJR-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.45
Rot. Bonds5

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

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 22579946) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID22579946
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-12-7-9-13(10-8-12)20-15(17-18-19-20)11-16-23(21,22)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyALUDUZQAGUUZJR-UHFFFAOYSA-N
XLogP1.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 41350032
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 22579946) is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is ALUDUZQAGUUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-12-7-9-13(10-8-12)20-15(17-18-19-20)11-16-23(21,22)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3.
What are the key properties of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 22579946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).