2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid

C15H22N2O4S — CID 99981819

IUPAC2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-22(20,21)12-6-7-14(13(10-12)15(18)19)17-8-4-3-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeySLSUSPJNMOOUMC-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.06
Rot. Bonds5

About 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid

2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 99981819) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID99981819
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)16-22(20,21)12-6-7-14(13(10-12)15(18)19)17-8-4-3-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeySLSUSPJNMOOUMC-UHFFFAOYSA-N
XLogP2.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 99985963
5-propylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CID 59793636
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
methyl 5-methylsulfonyl-2-piperidin-1-ylbenzoate
CID 59706417
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
2-(azepan-1-yl)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055154

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid (CID 99981819) is 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid is CC(C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is SLSUSPJNMOOUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(2)16-22(20,21)12-6-7-14(13(10-12)15(18)19)17-8-4-3-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid?
2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 326.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 99981819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).