3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid

C19H20N2O5S — CID 1332672

IUPAC3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(20-16-6-4-5-15(13-16)19(23)24)14-7-9-17(10-8-14)27(25,26)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12H2,(H,20,22)(H,23,24)
InChIKeyVCRMJERRCBZZNP-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.81
Rot. Bonds5

About 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid

3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid (PubChem CID 1332672) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
PubChem CID1332672
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(20-16-6-4-5-15(13-16)19(23)24)14-7-9-17(10-8-14)27(25,26)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12H2,(H,20,22)(H,23,24)
InChIKeyVCRMJERRCBZZNP-UHFFFAOYSA-N
XLogP2.81
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
2,2-dimethyl-N-[3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 30544816

Frequently Asked Questions

What is the IUPAC name of 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid (CID 1332672) is 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
The InChIKey is VCRMJERRCBZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(20-16-6-4-5-15(13-16)19(23)24)14-7-9-17(10-8-14)27(25,26)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12H2,(H,20,22)(H,23,24).
What are the key properties of 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid?
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid has a molecular weight of 388.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1332672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).