1-amino-2-(diethylsulfamoylamino)benzene

C10H17N3O2S — CID 28783371

IUPAC1-amino-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)12-10-8-6-5-7-9(10)11/h5-8,12H,3-4,11H2,1-2H3
InChIKeyDMNUDIXMYVWGCR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds5

About 1-amino-2-(diethylsulfamoylamino)benzene

1-amino-2-(diethylsulfamoylamino)benzene (PubChem CID 28783371) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-amino-2-(diethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-2-(diethylsulfamoylamino)benzene
PubChem CID28783371
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-amino-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)12-10-8-6-5-7-9(10)11/h5-8,12H,3-4,11H2,1-2H3
InChIKeyDMNUDIXMYVWGCR-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-amino-2-(diethylsulfamoylamino)benzene 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

1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
CID 112557490
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
1-amino-2-(diethylsulfamoylamino)-3-methylbenzene
CID 43152352
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride
CID 158434444
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
1-(diethylsulfamoylamino)-4-(methylamino)benzene
CID 43604119

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(diethylsulfamoylamino)benzene?
The IUPAC name of 1-amino-2-(diethylsulfamoylamino)benzene (CID 28783371) is 1-amino-2-(diethylsulfamoylamino)benzene.
What is the SMILES notation for 1-amino-2-(diethylsulfamoylamino)benzene?
The canonical SMILES for 1-amino-2-(diethylsulfamoylamino)benzene is CCN(CC)S(=O)(=O)Nc1ccccc1N.
What is the InChIKey of 1-amino-2-(diethylsulfamoylamino)benzene?
The InChIKey is DMNUDIXMYVWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)12-10-8-6-5-7-9(10)11/h5-8,12H,3-4,11H2,1-2H3.
What are the key properties of 1-amino-2-(diethylsulfamoylamino)benzene?
1-amino-2-(diethylsulfamoylamino)benzene has a molecular weight of 243.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(diethylsulfamoylamino)benzene is sourced from PubChem (CID 28783371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).