4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

C19H24N2O3S — CID 110362146

IUPAC4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-15-13-18(9-10-19(15)24-2)25(22,23)20-16-7-6-8-17(14-16)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3
InChIKeyVTNYCOZJYDOOJR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.79
Rot. Bonds5

About 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110362146) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110362146
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-15-13-18(9-10-19(15)24-2)25(22,23)20-16-7-6-8-17(14-16)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3
InChIKeyVTNYCOZJYDOOJR-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 39837582
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (CID 110362146) is 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is VTNYCOZJYDOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-13-18(9-10-19(15)24-2)25(22,23)20-16-7-6-8-17(14-16)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110362146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).