4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

C21H28N2O3S — CID 100737435

IUPAC4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C21H28N2O3S/c1-16-17(2)21(12-11-20(16)26-3)27(24,25)22-15-18-7-9-19(10-8-18)23-13-5-4-6-14-23/h7-12,22H,4-6,13-15H2,1-3H3
InChIKeyQVBMANJIBVIDIE-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.78
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 100737435) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID100737435
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C21H28N2O3S/c1-16-17(2)21(12-11-20(16)26-3)27(24,25)22-15-18-7-9-19(10-8-18)23-13-5-4-6-14-23/h7-12,22H,4-6,13-15H2,1-3H3
InChIKeyQVBMANJIBVIDIE-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
5-bromo-2-methoxy-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 133210812
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
3-chloro-4-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278352
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
3,5-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 110405080

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (CID 100737435) is 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is QVBMANJIBVIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16-17(2)21(12-11-20(16)26-3)27(24,25)22-15-18-7-9-19(10-8-18)23-13-5-4-6-14-23/h7-12,22H,4-6,13-15H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 100737435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).