4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide

C17H22N2O4S — CID 112980985

IUPAC4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H22N2O4S/c1-13-12-16(8-9-17(13)23-3)24(20,21)19-15-6-4-14(5-7-15)18-10-11-22-2/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyWDMOYVAXAIPULO-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.86
Rot. Bonds8

About 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide

4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide (PubChem CID 112980985) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
PubChem CID112980985
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H22N2O4S/c1-13-12-16(8-9-17(13)23-3)24(20,21)19-15-6-4-14(5-7-15)18-10-11-22-2/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyWDMOYVAXAIPULO-UHFFFAOYSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide (CID 112980985) is 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is WDMOYVAXAIPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-13-12-16(8-9-17(13)23-3)24(20,21)19-15-6-4-14(5-7-15)18-10-11-22-2/h4-9,12,18-19H,10-11H2,1-3H3.
What are the key properties of 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide?
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112980985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).