benzene-1,4-diamine;sulfuric acid

C6H10N2O4S — CID 27769

IUPACbenzene-1,4-diamine;sulfuric acid
SMILESNc1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C6H8N2.H2O4S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)
InChIKeyUFPKLWVNKAMAPE-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.20
Rot. Bonds

About benzene-1,4-diamine;sulfuric acid

benzene-1,4-diamine;sulfuric acid (PubChem CID 27769) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is benzene-1,4-diamine;sulfuric acid.

Molecular Properties

Compound Namebenzene-1,4-diamine;sulfuric acid
PubChem CID27769
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Namebenzene-1,4-diamine;sulfuric acid
SMILESNc1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C6H8N2.H2O4S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)
InChIKeyUFPKLWVNKAMAPE-UHFFFAOYSA-N
XLogP0.20
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze benzene-1,4-diamine;sulfuric acid 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

P-Phenylenediamine
CID 7814
1,4-Diaminobenzene dihydrochloride
CID 12205
2,5-Diaminotoluene sulfate
CID 22856
Sulfamide, N,N-dimethyl-N'-phenyl-
CID 78441
2-Chloro-p-phenylenediamine sulfate
CID 22584
1,4-Benzoquinone dioxime
CID 7737
3-Aminophenylboronic acid
CID 92269
N-phenylaminosulfonamide
CID 15569631
1,3-Benzenediamine, sulfate (1:1)
CID 10942
Aniline hemisulfate
CID 10951
Methanesulfonamide, N-phenyl-
CID 70970
4-Nitrophenylsulfamide
CID 612414

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;sulfuric acid?
The IUPAC name of benzene-1,4-diamine;sulfuric acid (CID 27769) is benzene-1,4-diamine;sulfuric acid.
What is the SMILES notation for benzene-1,4-diamine;sulfuric acid?
The canonical SMILES for benzene-1,4-diamine;sulfuric acid is Nc1ccc(N)cc1.O=S(=O)(O)O.
What is the InChIKey of benzene-1,4-diamine;sulfuric acid?
The InChIKey is UFPKLWVNKAMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.H2O4S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4).
What are the key properties of benzene-1,4-diamine;sulfuric acid?
benzene-1,4-diamine;sulfuric acid has a molecular weight of 206.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;sulfuric acid is sourced from PubChem (CID 27769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).