2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid

C23H29N3O5S — CID 11408525

IUPAC2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1N1CCCCC1
InChIInChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyVMZZSKOYOWNANO-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.66
Rot. Bonds8

About 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid

2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid (PubChem CID 11408525) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid
PubChem CID11408525
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1N1CCCCC1
InChIInChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyVMZZSKOYOWNANO-UHFFFAOYSA-N
XLogP3.66
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid (CID 11408525) is 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1N1CCCCC1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid?
The InChIKey is VMZZSKOYOWNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid?
2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid has a molecular weight of 459.57 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-piperidin-1-ylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 11408525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).