2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole

C15H14N4O3S — CID 170913262

IUPAC2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
SMILESCOc1ccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C15H14N4O3S/c1-11-3-9-14(10-4-11)23(20,21)15-16-18-19(17-15)12-5-7-13(22-2)8-6-12/h3-10H,1-2H3
InChIKeyCJLNHGBERNDNCE-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole

2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole (PubChem CID 170913262) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
PubChem CID170913262
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
SMILESCOc1ccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C15H14N4O3S/c1-11-3-9-14(10-4-11)23(20,21)15-16-18-19(17-15)12-5-7-13(22-2)8-6-12/h3-10H,1-2H3
InChIKeyCJLNHGBERNDNCE-UHFFFAOYSA-N
XLogP1.81
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide
CID 175653415
3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one
CID 75527688
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
CID 20865699
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
(2R)-2-[[4-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 10526668
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
CID 102143178
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
1-(113C)methoxy-4-methylbenzene
CID 166176950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole (CID 170913262) is 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole is COc1ccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole?
The InChIKey is CJLNHGBERNDNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-11-3-9-14(10-4-11)23(20,21)15-16-18-19(17-15)12-5-7-13(22-2)8-6-12/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole?
2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole has a molecular weight of 330.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole is sourced from PubChem (CID 170913262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).