5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid

C20H19Cl2N5O6S — CID 22614563

IUPAC5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid
SMILESCOc1ccccc1S(=O)(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C20H19Cl2N5O6S/c1-33-17-7-2-3-8-18(17)34(31,32)25-15(10-20(29)30)16(28)11-27-24-19(23-26-27)9-12-13(21)5-4-6-14(12)22/h2-8,15,25H,9-11H2,1H3,(H,29,30)
InChIKeyNBXNRHKAGOPVNV-UHFFFAOYSA-N
MW528.37 g/mol
LogP1.97
Rot. Bonds11

About 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid

5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid (PubChem CID 22614563) has the molecular formula C20H19Cl2N5O6S and a molecular weight of 528.37 g/mol. Its IUPAC name is 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid
PubChem CID22614563
Molecular FormulaC20H19Cl2N5O6S
Molecular Weight528.37 g/mol
Exact Mass527.04
IUPAC Name5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid
SMILESCOc1ccccc1S(=O)(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C20H19Cl2N5O6S/c1-33-17-7-2-3-8-18(17)34(31,32)25-15(10-20(29)30)16(28)11-27-24-19(23-26-27)9-12-13(21)5-4-6-14(12)22/h2-8,15,25H,9-11H2,1H3,(H,29,30)
InChIKeyNBXNRHKAGOPVNV-UHFFFAOYSA-N
XLogP1.97
TPSA153.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid?
The IUPAC name of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid (CID 22614563) is 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid.
What is the SMILES notation for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid?
The canonical SMILES for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid is COc1ccccc1S(=O)(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid?
The InChIKey is NBXNRHKAGOPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O6S/c1-33-17-7-2-3-8-18(17)34(31,32)25-15(10-20(29)30)16(28)11-27-24-19(23-26-27)9-12-13(21)5-4-6-14(12)22/h2-8,15,25H,9-11H2,1H3,(H,29,30).
What are the key properties of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid?
5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid has a molecular weight of 528.37 g/mol, XLogP of 1.97, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(2-methoxyphenyl)sulfonylamino]-4-oxopentanoic acid is sourced from PubChem (CID 22614563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).