N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C22H26ClN3O5S — CID 43066572

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)C1
InChIInChI=1S/C22H26ClN3O5S/c1-14(2)22(29)26-10-4-5-15(13-26)21(28)24-19-12-18(8-9-20(19)27)32(30,31)25-17-7-3-6-16(23)11-17/h3,6-9,11-12,14-15,25,27H,4-5,10,13H2,1-2H3,(H,24,28)
InChIKeyHYLWARQCADIXDQ-UHFFFAOYSA-N
MW479.99 g/mol
LogP3.68
Rot. Bonds6

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 43066572) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID43066572
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)C1
InChIInChI=1S/C22H26ClN3O5S/c1-14(2)22(29)26-10-4-5-15(13-26)21(28)24-19-12-18(8-9-20(19)27)32(30,31)25-17-7-3-6-16(23)11-17/h3,6-9,11-12,14-15,25,27H,4-5,10,13H2,1-2H3,(H,24,28)
InChIKeyHYLWARQCADIXDQ-UHFFFAOYSA-N
XLogP3.68
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 47021187
1-(2-methylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 47026261
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 7376472
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 43066572) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)C1.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is HYLWARQCADIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-14(2)22(29)26-10-4-5-15(13-26)21(28)24-19-12-18(8-9-20(19)27)32(30,31)25-17-7-3-6-16(23)11-17/h3,6-9,11-12,14-15,25,27H,4-5,10,13H2,1-2H3,(H,24,28).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43066572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).