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

C20H26N2O3S — CID 100516902

IUPAC4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C20H26N2O3S/c1-15-16(2)20(12-11-19(15)25-3)26(23,24)21-17-7-9-18(10-8-17)22-13-5-4-6-14-22/h7-12,21H,4-6,13-14H2,1-3H3
InChIKeyLWGDVOMTTIWUHJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.10
Rot. Bonds5

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

4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 100516902) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID100516902
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C20H26N2O3S/c1-15-16(2)20(12-11-19(15)25-3)26(23,24)21-17-7-9-18(10-8-17)22-13-5-4-6-14-22/h7-12,21H,4-6,13-14H2,1-3H3
InChIKeyLWGDVOMTTIWUHJ-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100506208
4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 100737435
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 100513018
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (CID 100516902) is 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is LWGDVOMTTIWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-16(2)20(12-11-19(15)25-3)26(23,24)21-17-7-9-18(10-8-17)22-13-5-4-6-14-22/h7-12,21H,4-6,13-14H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 4.10, 5 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)benzenesulfonamide is sourced from PubChem (CID 100516902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).