4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide

C18H17N3O4S2 — CID 13052807

IUPAC4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C18H17N3O4S2/c19-13-1-7-16(8-2-13)26(22,23)17-11-5-15(6-12-17)21-27(24,25)18-9-3-14(20)4-10-18/h1-12,21H,19-20H2
InChIKeyOTCGDCOOEDKONW-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide

4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide (PubChem CID 13052807) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
PubChem CID13052807
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C18H17N3O4S2/c19-13-1-7-16(8-2-13)26(22,23)17-11-5-15(6-12-17)21-27(24,25)18-9-3-14(20)4-10-18/h1-12,21H,19-20H2
InChIKeyOTCGDCOOEDKONW-UHFFFAOYSA-N
XLogP2.48
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
CID 3451294
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-[4-(4-aminophenyl)sulfonylanilino]ethanol
CID 23067525

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide (CID 13052807) is 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is OTCGDCOOEDKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c19-13-1-7-16(8-2-13)26(22,23)17-11-5-15(6-12-17)21-27(24,25)18-9-3-14(20)4-10-18/h1-12,21H,19-20H2.
What are the key properties of 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide?
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 403.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 13052807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).