4-amino-N-(4-aminophenyl)benzenesulfonamide

C12H13N3O2S — CID 768320

IUPAC4-amino-N-(4-aminophenyl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyLWOAIKNLRVQTFT-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.65
Rot. Bonds3

About 4-amino-N-(4-aminophenyl)benzenesulfonamide

4-amino-N-(4-aminophenyl)benzenesulfonamide (PubChem CID 768320) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-N-(4-aminophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-aminophenyl)benzenesulfonamide
PubChem CID768320
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-N-(4-aminophenyl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyLWOAIKNLRVQTFT-UHFFFAOYSA-N
XLogP1.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.65
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'}

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Related Compounds

Sulfanilamide
CID 5333
Dapsone
CID 2955
Sulfanilic acid
CID 8479
Sulfacetamide
CID 5320
Asulam
CID 18752
Sulfacarbamide
CID 11033
Sulfaguanidine
CID 5324
Sodium sulfanilate
CID 23664644
Sulfathiourea
CID 3000579
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfacetamide Sodium
CID 6419954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-aminophenyl)benzenesulfonamide (CID 768320) is 4-amino-N-(4-aminophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-aminophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-aminophenyl)benzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-aminophenyl)benzenesulfonamide?
The InChIKey is LWOAIKNLRVQTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2.
What are the key properties of 4-amino-N-(4-aminophenyl)benzenesulfonamide?
4-amino-N-(4-aminophenyl)benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminophenyl)benzenesulfonamide is sourced from PubChem (CID 768320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).