1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide

C20H22N4O7S — CID 43002026

IUPAC1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H22N4O7S/c1-31-18-7-4-15(24(27)28)12-17(18)22-32(29,30)16-5-2-14(3-6-16)20(26)23-10-8-13(9-11-23)19(21)25/h2-7,12-13,22H,8-11H2,1H3,(H2,21,25)
InChIKeyDPSIVZVUUSGXJH-UHFFFAOYSA-N
MW462.48 g/mol
LogP1.74
Rot. Bonds7

About 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide

1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (PubChem CID 43002026) has the molecular formula C20H22N4O7S and a molecular weight of 462.48 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
PubChem CID43002026
Molecular FormulaC20H22N4O7S
Molecular Weight462.48 g/mol
Exact Mass462.12
IUPAC Name1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H22N4O7S/c1-31-18-7-4-15(24(27)28)12-17(18)22-32(29,30)16-5-2-14(3-6-16)20(26)23-10-8-13(9-11-23)19(21)25/h2-7,12-13,22H,8-11H2,1H3,(H2,21,25)
InChIKeyDPSIVZVUUSGXJH-UHFFFAOYSA-N
XLogP1.74
TPSA161.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-2-benzylpyrrolidine-1-carbonyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 25375184
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 26681039
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
3-[4-(4-bromo-2-fluorophenyl)piperidine-1-carbonyl]-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 166345126
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide
CID 24679445
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 2957594
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 30858576
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (CID 43002026) is 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is DPSIVZVUUSGXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O7S/c1-31-18-7-4-15(24(27)28)12-17(18)22-32(29,30)16-5-2-14(3-6-16)20(26)23-10-8-13(9-11-23)19(21)25/h2-7,12-13,22H,8-11H2,1H3,(H2,21,25).
What are the key properties of 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43002026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).