N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide

C19H21N3O6S — CID 108563476

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-17-6-2-14(3-7-17)19(23)21-12-10-15(11-13-21)20-29(26,27)18-8-4-16(5-9-18)22(24)25/h2-9,15,20H,10-13H2,1H3
InChIKeyQEVUHEAOAIZCPM-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.19
Rot. Bonds6

About N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide (PubChem CID 108563476) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
PubChem CID108563476
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-17-6-2-14(3-7-17)19(23)21-12-10-15(11-13-21)20-29(26,27)18-8-4-16(5-9-18)22(24)25/h2-9,15,20H,10-13H2,1H3
InChIKeyQEVUHEAOAIZCPM-UHFFFAOYSA-N
XLogP2.19
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108567195
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide (CID 108563476) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide is COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide?
The InChIKey is QEVUHEAOAIZCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-28-17-6-2-14(3-7-17)19(23)21-12-10-15(11-13-21)20-29(26,27)18-8-4-16(5-9-18)22(24)25/h2-9,15,20H,10-13H2,1H3.
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 108563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).