3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide

C18H24N2O5S — CID 112981118

IUPAC3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O5S/c1-23-12-4-11-19-14-5-7-15(8-6-14)20-26(21,22)16-9-10-17(24-2)18(13-16)25-3/h5-10,13,19-20H,4,11-12H2,1-3H3
InChIKeyBETHCVOXGOGRII-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.95
Rot. Bonds10

About 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide (PubChem CID 112981118) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
PubChem CID112981118
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O5S/c1-23-12-4-11-19-14-5-7-15(8-6-14)20-26(21,22)16-9-10-17(24-2)18(13-16)25-3/h5-10,13,19-20H,4,11-12H2,1-3H3
InChIKeyBETHCVOXGOGRII-UHFFFAOYSA-N
XLogP2.95
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide (CID 112981118) is 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The InChIKey is BETHCVOXGOGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-23-12-4-11-19-14-5-7-15(8-6-14)20-26(21,22)16-9-10-17(24-2)18(13-16)25-3/h5-10,13,19-20H,4,11-12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).