2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid

C16H16ClN3O4S — CID 4836430

IUPAC2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C16H16ClN3O4S/c17-14-5-4-12(11-13(14)16(21)22)25(23,24)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,21,22)
InChIKeyAMCPRMNUFDIRCP-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid

2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid (PubChem CID 4836430) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
PubChem CID4836430
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C16H16ClN3O4S/c17-14-5-4-12(11-13(14)16(21)22)25(23,24)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,21,22)
InChIKeyAMCPRMNUFDIRCP-UHFFFAOYSA-N
XLogP1.94
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic 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

formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
N-(2-bromo-4,6-difluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 4170549
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine
CID 46283650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid?
The IUPAC name of 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid (CID 4836430) is 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid.
What is the SMILES notation for 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid?
The canonical SMILES for 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid?
The InChIKey is AMCPRMNUFDIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-14-5-4-12(11-13(14)16(21)22)25(23,24)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,21,22).
What are the key properties of 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid?
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid has a molecular weight of 381.84 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid is sourced from PubChem (CID 4836430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).