N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide

C19H23N3O7S2 — CID 92647567

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O7S2/c1-29-18-9-8-16(13-19(18)31(27,28)21-10-3-2-4-11-21)20-30(25,26)14-15-6-5-7-17(12-15)22(23)24/h5-9,12-13,20H,2-4,10-11,14H2,1H3
InChIKeyFGQBSNFSXUIMSC-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.72
Rot. Bonds8

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide (PubChem CID 92647567) has the molecular formula C19H23N3O7S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide
PubChem CID92647567
Molecular FormulaC19H23N3O7S2
Molecular Weight469.54 g/mol
Exact Mass469.10
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O7S2/c1-29-18-9-8-16(13-19(18)31(27,28)21-10-3-2-4-11-21)20-30(25,26)14-15-6-5-7-17(12-15)22(23)24/h5-9,12-13,20H,2-4,10-11,14H2,1H3
InChIKeyFGQBSNFSXUIMSC-UHFFFAOYSA-N
XLogP2.72
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
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'}

Analyze N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-[(3-nitrophenyl)methyl]-3-piperidin-1-ylsulfonylaniline
CID 78836052
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 4215827
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92683075
4-hydroxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 4831846
N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
CID 5033110
N-(3-chloro-4-methylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide
CID 43909414
ethyl 3-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate
CID 26174256
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 55568502
1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 2206544
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100539406

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide (CID 92647567) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The InChIKey is FGQBSNFSXUIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S2/c1-29-18-9-8-16(13-19(18)31(27,28)21-10-3-2-4-11-21)20-30(25,26)14-15-6-5-7-17(12-15)22(23)24/h5-9,12-13,20H,2-4,10-11,14H2,1H3.
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide has a molecular weight of 469.54 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 92647567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).