N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

C18H20N4O6S — CID 10764600

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1
InChIInChI=1S/C18H20N4O6S/c1-28-14-4-6-15(7-5-14)29(26,27)22-10-9-21(12-16(22)17(23)20-25)18(24)13-3-2-8-19-11-13/h2-8,11,16,25H,9-10,12H2,1H3,(H,20,23)
InChIKeyFGCFPKFVQOUMFJ-UHFFFAOYSA-N
MW420.45 g/mol
LogP0.11
Rot. Bonds5

About N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 10764600) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID10764600
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1
InChIInChI=1S/C18H20N4O6S/c1-28-14-4-6-15(7-5-14)29(26,27)22-10-9-21(12-16(22)17(23)20-25)18(24)13-3-2-8-19-11-13/h2-8,11,16,25H,9-10,12H2,1H3,(H,20,23)
InChIKeyFGCFPKFVQOUMFJ-UHFFFAOYSA-N
XLogP0.11
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 10764600) is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is FGCFPKFVQOUMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-28-14-4-6-15(7-5-14)29(26,27)22-10-9-21(12-16(22)17(23)20-25)18(24)13-3-2-8-19-11-13/h2-8,11,16,25H,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 10764600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).