1-amino-4-(4-amino-N-sulfamoylanilino)benzene

C12H14N4O2S — CID 54239059

IUPAC1-amino-4-(4-amino-N-sulfamoylanilino)benzene
SMILESNc1ccc(N(c2ccc(N)cc2)S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O2S/c13-9-1-5-11(6-2-9)16(19(15,17)18)12-7-3-10(14)4-8-12/h1-8H,13-14H2,(H2,15,17,18)
InChIKeyQORUXSBLESFSNL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.19
Rot. Bonds3

About 1-amino-4-(4-amino-N-sulfamoylanilino)benzene

1-amino-4-(4-amino-N-sulfamoylanilino)benzene (PubChem CID 54239059) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-amino-4-(4-amino-N-sulfamoylanilino)benzene.

Molecular Properties

Compound Name1-amino-4-(4-amino-N-sulfamoylanilino)benzene
PubChem CID54239059
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-amino-4-(4-amino-N-sulfamoylanilino)benzene
SMILESNc1ccc(N(c2ccc(N)cc2)S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O2S/c13-9-1-5-11(6-2-9)16(19(15,17)18)12-7-3-10(14)4-8-12/h1-8H,13-14H2,(H2,15,17,18)
InChIKeyQORUXSBLESFSNL-UHFFFAOYSA-N
XLogP1.19
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-4-(4-amino-N-sulfamoylanilino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-amino-N-sulfamoylanilino)benzene?
The IUPAC name of 1-amino-4-(4-amino-N-sulfamoylanilino)benzene (CID 54239059) is 1-amino-4-(4-amino-N-sulfamoylanilino)benzene.
What is the SMILES notation for 1-amino-4-(4-amino-N-sulfamoylanilino)benzene?
The canonical SMILES for 1-amino-4-(4-amino-N-sulfamoylanilino)benzene is Nc1ccc(N(c2ccc(N)cc2)S(N)(=O)=O)cc1.
What is the InChIKey of 1-amino-4-(4-amino-N-sulfamoylanilino)benzene?
The InChIKey is QORUXSBLESFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-9-1-5-11(6-2-9)16(19(15,17)18)12-7-3-10(14)4-8-12/h1-8H,13-14H2,(H2,15,17,18).
What are the key properties of 1-amino-4-(4-amino-N-sulfamoylanilino)benzene?
1-amino-4-(4-amino-N-sulfamoylanilino)benzene has a molecular weight of 278.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-amino-N-sulfamoylanilino)benzene is sourced from PubChem (CID 54239059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).