2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide

C22H20N6O4S — CID 1463759

IUPAC2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H20N6O4S/c1-32-20-14-8-7-13-19(20)23-21(29)15-28-25-22(24-27-28)17-11-5-6-12-18(17)26-33(30,31)16-9-3-2-4-10-16/h2-14,26H,15H2,1H3,(H,23,29)
InChIKeySBQLLFDUALJJPP-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.79
Rot. Bonds8

About 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide

2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 1463759) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID1463759
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H20N6O4S/c1-32-20-14-8-7-13-19(20)23-21(29)15-28-25-22(24-27-28)17-11-5-6-12-18(17)26-33(30,31)16-9-3-2-4-10-16/h2-14,26H,15H2,1H3,(H,23,29)
InChIKeySBQLLFDUALJJPP-UHFFFAOYSA-N
XLogP2.79
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide (CID 1463759) is 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is SBQLLFDUALJJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-32-20-14-8-7-13-19(20)23-21(29)15-28-25-22(24-27-28)17-11-5-6-12-18(17)26-33(30,31)16-9-3-2-4-10-16/h2-14,26H,15H2,1H3,(H,23,29).
What are the key properties of 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 464.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(benzenesulfonamido)phenyl]tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).