1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene

C14H25N3O2S — CID 63237275

IUPAC1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
SMILESCCCN(CCC)S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H25N3O2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-13-5-7-14(15)8-6-13/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyZSNZFQBXKVMGMO-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.77
Rot. Bonds9

About 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene

1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene (PubChem CID 63237275) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
PubChem CID63237275
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
SMILESCCCN(CCC)S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H25N3O2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-13-5-7-14(15)8-6-13/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyZSNZFQBXKVMGMO-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
CID 63238378
1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 120715672
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
N-[2-(4-aminophenyl)ethyl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120715601
4-[2-(diethylsulfamoylamino)ethyl]benzoic acid
CID 43234508
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 120715586
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120715585

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene?
The IUPAC name of 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene (CID 63237275) is 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene is CCCN(CCC)S(=O)(=O)NCCc1ccc(N)cc1.
What is the InChIKey of 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene?
The InChIKey is ZSNZFQBXKVMGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-13-5-7-14(15)8-6-13/h5-8,16H,3-4,9-12,15H2,1-2H3.
What are the key properties of 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene?
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene has a molecular weight of 299.44 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene is sourced from PubChem (CID 63237275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).