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

C18H25N3O4S — CID 112981378

IUPACN-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NCCN(C)C)cc2)c1
InChIInChI=1S/C18H25N3O4S/c1-21(2)12-11-19-14-5-7-15(8-6-14)20-26(22,23)18-13-16(24-3)9-10-17(18)25-4/h5-10,13,19-20H,11-12H2,1-4H3
InChIKeyRLJIORPBPSTWTJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.48
Rot. Bonds9

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

N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 112981378) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID112981378
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NCCN(C)C)cc2)c1
InChIInChI=1S/C18H25N3O4S/c1-21(2)12-11-19-14-5-7-15(8-6-14)20-26(22,23)18-13-16(24-3)9-10-17(18)25-4/h5-10,13,19-20H,11-12H2,1-4H3
InChIKeyRLJIORPBPSTWTJ-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
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
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide (CID 112981378) is N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NCCN(C)C)cc2)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RLJIORPBPSTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-21(2)12-11-19-14-5-7-15(8-6-14)20-26(22,23)18-13-16(24-3)9-10-17(18)25-4/h5-10,13,19-20H,11-12H2,1-4H3.
What are the key properties of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112981378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).