4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine

C11H19N3O2S — CID 28894518

IUPAC4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
SMILESCCN(CC)S(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)11-8-6-10(12)7-9-11/h6-9H,4-5,12H2,1-3H3
InChIKeyWOEIBQYVRAFCRM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.29
Rot. Bonds5

About 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine

4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 28894518) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
PubChem CID28894518
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
SMILESCCN(CC)S(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)11-8-6-10(12)7-9-11/h6-9H,4-5,12H2,1-3H3
InChIKeyWOEIBQYVRAFCRM-UHFFFAOYSA-N
XLogP1.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[diethylsulfamoyl(methyl)amino]phenol
CID 28785528
4-[diethylsulfamoyl(methyl)amino]benzenecarbothioamide
CID 62971569
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
CID 70444686
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
CID 63245632
N-(4-aminophenyl)-N-methylcyclopropanesulfonamide
CID 64552177
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825
1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene
CID 114804289
2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022121
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270

Frequently Asked Questions

What is the IUPAC name of 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine (CID 28894518) is 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine is CCN(CC)S(=O)(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is WOEIBQYVRAFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)11-8-6-10(12)7-9-11/h6-9H,4-5,12H2,1-3H3.
What are the key properties of 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine?
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 28894518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).