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

C13H23N3O2S — CID 63233725

IUPAC4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H23N3O2S/c1-4-11-16(13-9-7-12(14)8-10-13)19(17,18)15(5-2)6-3/h7-10H,4-6,11,14H2,1-3H3
InChIKeyDRMFIHNOJDQHGT-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.07
Rot. Bonds7

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

4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine (PubChem CID 63233725) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
PubChem CID63233725
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H23N3O2S/c1-4-11-16(13-9-7-12(14)8-10-13)19(17,18)15(5-2)6-3/h7-10H,4-6,11,14H2,1-3H3
InChIKeyDRMFIHNOJDQHGT-UHFFFAOYSA-N
XLogP2.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.07
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

N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
CID 63233636
N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 63234111
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825
N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
CID 70444686

Frequently Asked Questions

What is the IUPAC name of 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine (CID 63233725) is 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine is CCCN(c1ccc(N)cc1)S(=O)(=O)N(CC)CC.
What is the InChIKey of 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine?
The InChIKey is DRMFIHNOJDQHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-11-16(13-9-7-12(14)8-10-13)19(17,18)15(5-2)6-3/h7-10H,4-6,11,14H2,1-3H3.
What are the key properties of 4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine?
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine has a molecular weight of 285.41 g/mol, XLogP of 2.07, 7 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-propylbenzene-1,4-diamine is sourced from PubChem (CID 63233725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).