1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene

C8H13N3O2S — CID 114958706

IUPAC1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
SMILESCc1cc(N)c(NS(N)(=O)=O)cc1C
InChIInChI=1S/C8H13N3O2S/c1-5-3-7(9)8(4-6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyYIQLDOGOCLIIKJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene

1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene (PubChem CID 114958706) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
PubChem CID114958706
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
SMILESCc1cc(N)c(NS(N)(=O)=O)cc1C
InChIInChI=1S/C8H13N3O2S/c1-5-3-7(9)8(4-6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyYIQLDOGOCLIIKJ-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-4,5-dimethyl-2-(sulfamoylamino)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-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene?
The IUPAC name of 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene (CID 114958706) is 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene is Cc1cc(N)c(NS(N)(=O)=O)cc1C.
What is the InChIKey of 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene?
The InChIKey is YIQLDOGOCLIIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-3-7(9)8(4-6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene?
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene has a molecular weight of 215.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene is sourced from PubChem (CID 114958706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).