N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C23H23N5O4S — CID 145220091

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H23N5O4S/c1-31-19-11-7-17(8-12-19)15-24-33(29,30)22-6-4-3-5-21(22)23-25-27-28(26-23)16-18-9-13-20(32-2)14-10-18/h3-14,24H,15-16H2,1-2H3
InChIKeyPCGFGLBZBXGPJW-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.88
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 145220091) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID145220091
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H23N5O4S/c1-31-19-11-7-17(8-12-19)15-24-33(29,30)22-6-4-3-5-21(22)23-25-27-28(26-23)16-18-9-13-20(32-2)14-10-18/h3-14,24H,15-16H2,1-2H3
InChIKeyPCGFGLBZBXGPJW-UHFFFAOYSA-N
XLogP2.88
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 135150239
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
3-(2-amino-1,3-benzothiazol-4-yl)-6-[(1-aminocyclopropyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 135149585
3-(2-amino-3H-benzimidazol-5-yl)-6-(azetidin-3-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118256890
3-(4-aminocyclohexyl)-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257342
N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide
CID 68981244
[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]boronic acid
CID 140751938
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
5-[1-(2-ethylphenyl)-5-[[1-(2-ethylphenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90028313

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 145220091) is N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is PCGFGLBZBXGPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-31-19-11-7-17(8-12-19)15-24-33(29,30)22-6-4-3-5-21(22)23-25-27-28(26-23)16-18-9-13-20(32-2)14-10-18/h3-14,24H,15-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 465.54 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 145220091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).