2-chloro-5-piperidin-1-ylsulfonylbenzoic acid

C12H14ClNO4S — CID 767893

IUPAC2-chloro-5-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyRYCLZKQOCUAPMF-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid

2-chloro-5-piperidin-1-ylsulfonylbenzoic acid (PubChem CID 767893) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonylbenzoic acid
PubChem CID767893
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name2-chloro-5-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyRYCLZKQOCUAPMF-UHFFFAOYSA-N
XLogP2.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-piperidin-1-ylsulfonylbenzoic 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

5-[Benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
CID 2380525
4-Chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-Chloro-3-(pyrrolidine-1-sulfonyl)benzoic acid
CID 1070198
Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
CID 67306
rel-2-Chloro-5-(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)benzoic acid
CID 32335
2,4-Dichloro-5-(diethylsulfamoyl)benzoic acid
CID 767908
3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid
CID 2318451
2-Chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
5-(1-Azepanylsulfonyl)-2,4-dichlorobenzoic acid
CID 1070093
3-[(4-Methylpiperidin-1-YL)sulfonyl]benzoic acid
CID 2842864
2-Fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
CID 3235624
2-Fluoro-5-(piperidine-1-sulfonyl)benzoic acid
CID 3245251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid (CID 767893) is 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid?
The InChIKey is RYCLZKQOCUAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid?
2-chloro-5-piperidin-1-ylsulfonylbenzoic acid has a molecular weight of 303.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonylbenzoic acid is sourced from PubChem (CID 767893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).