N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide

C19H27N3O4S — CID 112981591

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

About N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide

N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 112981591) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID112981591
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NCCCN(C)C)cc2)c1
InChIInChI=1S/C19H27N3O4S/c1-22(2)13-5-12-20-15-6-8-16(9-7-15)21-27(23,24)19-14-17(25-3)10-11-18(19)26-4/h6-11,14,20-21H,5,12-13H2,1-4H3
InChIKeySTUWZBPPZKUFFK-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

N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide (CID 112981591) is N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NCCCN(C)C)cc2)c1.
What is the InChIKey of N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is STUWZBPPZKUFFK-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)19-14-17(25-3)10-11-18(19)26-4/h6-11,14,20-21H,5,12-13H2,1-4H3.
What are the key properties of N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-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]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112981591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).