4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide

C20H26N2O4S — CID 53278380

IUPAC4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C20H26N2O4S/c1-15-14-19(8-9-20(15)25-3)27(23,24)21-16-4-6-17(7-5-16)26-18-10-12-22(2)13-11-18/h4-9,14,18,21H,10-13H2,1-3H3
InChIKeyBOHQPUPCPCPQDQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.28
Rot. Bonds6

About 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide

4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 53278380) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID53278380
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C20H26N2O4S/c1-15-14-19(8-9-20(15)25-3)27(23,24)21-16-4-6-17(7-5-16)26-18-10-12-22(2)13-11-18/h4-9,14,18,21H,10-13H2,1-3H3
InChIKeyBOHQPUPCPCPQDQ-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 90595968
N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22185869
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35548357
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(1-methylpiperidin-4-yl)acetamide
CID 99968078
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 100766357

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide (CID 53278380) is 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is BOHQPUPCPCPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-14-19(8-9-20(15)25-3)27(23,24)21-16-4-6-17(7-5-16)26-18-10-12-22(2)13-11-18/h4-9,14,18,21H,10-13H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 53278380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).