N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide

C18H16N2O2S2 — CID 3451294

IUPACN-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
SMILESNc1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O2S2/c19-14-6-10-16(11-7-14)23-17-12-8-15(9-13-17)20-24(21,22)18-4-2-1-3-5-18/h1-13,20H,19H2
InChIKeyNWGORNFYYVHGGJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.22
Rot. Bonds5

About N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide

N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide (PubChem CID 3451294) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
PubChem CID3451294
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
SMILESNc1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O2S2/c19-14-6-10-16(11-7-14)23-17-12-8-15(9-13-17)20-24(21,22)18-4-2-1-3-5-18/h1-13,20H,19H2
InChIKeyNWGORNFYYVHGGJ-UHFFFAOYSA-N
XLogP4.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide (CID 3451294) is N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide is Nc1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide?
The InChIKey is NWGORNFYYVHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c19-14-6-10-16(11-7-14)23-17-12-8-15(9-13-17)20-24(21,22)18-4-2-1-3-5-18/h1-13,20H,19H2.
What are the key properties of N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide?
N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide is sourced from PubChem (CID 3451294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).