1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid

C16H22N2O5S — CID 45341309

IUPAC1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(2)17-24(22,23)14-5-3-12(4-6-14)15(19)18-9-7-13(8-10-18)16(20)21/h3-6,11,13,17H,7-10H2,1-2H3,(H,20,21)
InChIKeySWEDRBOXYOOYBZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.31
Rot. Bonds5

About 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid

1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 45341309) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID45341309
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(2)17-24(22,23)14-5-3-12(4-6-14)15(19)18-9-7-13(8-10-18)16(20)21/h3-6,11,13,17H,7-10H2,1-2H3,(H,20,21)
InChIKeySWEDRBOXYOOYBZ-UHFFFAOYSA-N
XLogP1.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 119349414
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
(3R,4R)-4-cyclopropyl-1-[4-(propan-2-ylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120978459
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid (CID 45341309) is 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is SWEDRBOXYOOYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11(2)17-24(22,23)14-5-3-12(4-6-14)15(19)18-9-7-13(8-10-18)16(20)21/h3-6,11,13,17H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45341309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).