N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

C19H23N3O6S2 — CID 4833255

IUPACN-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14(23)20-15-5-7-16(8-6-15)29(25,26)21-18-13-17(9-10-19(18)24)30(27,28)22-11-3-2-4-12-22/h5-10,13,21,24H,2-4,11-12H2,1H3,(H,20,23)
InChIKeyZUAWPIOVUCNXIL-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.33
Rot. Bonds6

About N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4833255) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID4833255
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC NameN-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14(23)20-15-5-7-16(8-6-15)29(25,26)21-18-13-17(9-10-19(18)24)30(27,28)22-11-3-2-4-12-22/h5-10,13,21,24H,2-4,11-12H2,1H3,(H,20,23)
InChIKeyZUAWPIOVUCNXIL-UHFFFAOYSA-N
XLogP2.33
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (CID 4833255) is N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1.
What is the InChIKey of N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZUAWPIOVUCNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-14(23)20-15-5-7-16(8-6-15)29(25,26)21-18-13-17(9-10-19(18)24)30(27,28)22-11-3-2-4-12-22/h5-10,13,21,24H,2-4,11-12H2,1H3,(H,20,23).
What are the key properties of N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4833255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).