N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide

C19H27N3O4S — CID 112981589

IUPACN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)cc2)cc1OC
InChIInChI=1S/C19H27N3O4S/c1-22(2)13-5-12-20-15-6-8-16(9-7-15)21-27(23,24)17-10-11-18(25-3)19(14-17)26-4/h6-11,14,20-21H,5,12-13H2,1-4H3
InChIKeyUFWAGKOKNHVNAQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.87
Rot. Bonds10

About N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 112981589) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID112981589
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)cc2)cc1OC
InChIInChI=1S/C19H27N3O4S/c1-22(2)13-5-12-20-15-6-8-16(9-7-15)21-27(23,24)17-10-11-18(25-3)19(14-17)26-4/h6-11,14,20-21H,5,12-13H2,1-4H3
InChIKeyUFWAGKOKNHVNAQ-UHFFFAOYSA-N
XLogP2.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.87
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

3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide (CID 112981589) is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)cc2)cc1OC.
What is the InChIKey of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UFWAGKOKNHVNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-22(2)13-5-12-20-15-6-8-16(9-7-15)21-27(23,24)17-10-11-18(25-3)19(14-17)26-4/h6-11,14,20-21H,5,12-13H2,1-4H3.
What are the key properties of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112981589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).