5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid

C20H24N2O5S — CID 69009615

IUPAC5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)O)cccc23)CC1
InChIInChI=1S/C20H24N2O5S/c1-2-5-19(23)22-12-10-14(11-13-22)21-28(26,27)18-9-4-6-15-16(18)7-3-8-17(15)20(24)25/h3-4,6-9,14,21H,2,5,10-13H2,1H3,(H,24,25)
InChIKeyCJAISATZUOIIPV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.61
Rot. Bonds6

About 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid

5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid (PubChem CID 69009615) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
PubChem CID69009615
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)O)cccc23)CC1
InChIInChI=1S/C20H24N2O5S/c1-2-5-19(23)22-12-10-14(11-13-22)21-28(26,27)18-9-4-6-15-16(18)7-3-8-17(15)20(24)25/h3-4,6-9,14,21H,2,5,10-13H2,1H3,(H,24,25)
InChIKeyCJAISATZUOIIPV-UHFFFAOYSA-N
XLogP2.61
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
CID 59717992
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
ethyl 4-[[5-[chloro(phenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 87230277
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 59656562
ethyl 4-[[5-[methyl-(3-methylphenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 66998672
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110819327
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid (CID 69009615) is 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid is CCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)O)cccc23)CC1.
What is the InChIKey of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid?
The InChIKey is CJAISATZUOIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-5-19(23)22-12-10-14(11-13-22)21-28(26,27)18-9-4-6-15-16(18)7-3-8-17(15)20(24)25/h3-4,6-9,14,21H,2,5,10-13H2,1H3,(H,24,25).
What are the key properties of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid?
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid has a molecular weight of 404.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 69009615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).