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

C19H16Cl2FN5O5S — CID 22614537

IUPAC5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc(F)c1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H16Cl2FN5O5S/c20-14-5-2-6-15(21)13(14)8-18-23-26-27(24-18)10-17(28)16(9-19(29)30)25-33(31,32)12-4-1-3-11(22)7-12/h1-7,16,25H,8-10H2,(H,29,30)
InChIKeyYDUBEWFVQRTECA-UHFFFAOYSA-N
MW516.34 g/mol
LogP2.10
Rot. Bonds10

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

5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid (PubChem CID 22614537) has the molecular formula C19H16Cl2FN5O5S and a molecular weight of 516.34 g/mol. Its IUPAC name is 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid
PubChem CID22614537
Molecular FormulaC19H16Cl2FN5O5S
Molecular Weight516.34 g/mol
Exact Mass515.02
IUPAC Name5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc(F)c1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H16Cl2FN5O5S/c20-14-5-2-6-15(21)13(14)8-18-23-26-27(24-18)10-17(28)16(9-19(29)30)25-33(31,32)12-4-1-3-11(22)7-12/h1-7,16,25H,8-10H2,(H,29,30)
InChIKeyYDUBEWFVQRTECA-UHFFFAOYSA-N
XLogP2.10
TPSA144.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)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-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid?
The IUPAC name of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid (CID 22614537) is 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid.
What is the SMILES notation for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid?
The canonical SMILES for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid is O=C(O)CC(NS(=O)(=O)c1cccc(F)c1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid?
The InChIKey is YDUBEWFVQRTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O5S/c20-14-5-2-6-15(21)13(14)8-18-23-26-27(24-18)10-17(28)16(9-19(29)30)25-33(31,32)12-4-1-3-11(22)7-12/h1-7,16,25H,8-10H2,(H,29,30).
What are the key properties of 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid?
5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid has a molecular weight of 516.34 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-3-[(3-fluorophenyl)sulfonylamino]-4-oxopentanoic acid is sourced from PubChem (CID 22614537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).