2-(piperazin-1-ylsulfonylamino)benzoic acid

C11H15N3O4S — CID 61251958

IUPAC2-(piperazin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-3-1-2-4-10(9)13-19(17,18)14-7-5-12-6-8-14/h1-4,12-13H,5-8H2,(H,15,16)
InChIKeyVRNURWYABTVKFH-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.05
Rot. Bonds4

About 2-(piperazin-1-ylsulfonylamino)benzoic acid

2-(piperazin-1-ylsulfonylamino)benzoic acid (PubChem CID 61251958) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(piperazin-1-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-(piperazin-1-ylsulfonylamino)benzoic acid
PubChem CID61251958
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-(piperazin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-3-1-2-4-10(9)13-19(17,18)14-7-5-12-6-8-14/h1-4,12-13H,5-8H2,(H,15,16)
InChIKeyVRNURWYABTVKFH-UHFFFAOYSA-N
XLogP-0.05
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900
N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
CID 61253505
N-pyridin-2-ylpiperazine-1-sulfonamide
CID 28775630
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61251789
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-(piperazin-1-ylsulfonylamino)benzoic acid (CID 61251958) is 2-(piperazin-1-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-(piperazin-1-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-(piperazin-1-ylsulfonylamino)benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)N1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylsulfonylamino)benzoic acid?
The InChIKey is VRNURWYABTVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-11(16)9-3-1-2-4-10(9)13-19(17,18)14-7-5-12-6-8-14/h1-4,12-13H,5-8H2,(H,15,16).
What are the key properties of 2-(piperazin-1-ylsulfonylamino)benzoic acid?
2-(piperazin-1-ylsulfonylamino)benzoic acid has a molecular weight of 285.32 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 61251958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).