2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid

C19H18Cl2N2O5S — CID 1216381

IUPAC2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O5S/c20-14-11-15(21)17(29(27,28)23-8-4-1-5-9-23)10-13(14)18(24)22-16-7-3-2-6-12(16)19(25)26/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,22,24)(H,25,26)
InChIKeyHPKFLDUBRVXTRT-UHFFFAOYSA-N
MW457.34 g/mol
LogP4.12
Rot. Bonds5

About 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid

2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid (PubChem CID 1216381) has the molecular formula C19H18Cl2N2O5S and a molecular weight of 457.34 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
PubChem CID1216381
Molecular FormulaC19H18Cl2N2O5S
Molecular Weight457.34 g/mol
Exact Mass456.03
IUPAC Name2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O5S/c20-14-11-15(21)17(29(27,28)23-8-4-1-5-9-23)10-13(14)18(24)22-16-7-3-2-6-12(16)19(25)26/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,22,24)(H,25,26)
InChIKeyHPKFLDUBRVXTRT-UHFFFAOYSA-N
XLogP4.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.34
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid (CID 1216381) is 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The InChIKey is HPKFLDUBRVXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O5S/c20-14-11-15(21)17(29(27,28)23-8-4-1-5-9-23)10-13(14)18(24)22-16-7-3-2-6-12(16)19(25)26/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,22,24)(H,25,26).
What are the key properties of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid has a molecular weight of 457.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1216381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).