4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide

C12H11NO3S2 — CID 54911444

IUPAC4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NO3S2/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8,14H,(H2,13,15,16)
InChIKeyICFXVSMVPFRVJU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide

4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide (PubChem CID 54911444) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
PubChem CID54911444
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NO3S2/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8,14H,(H2,13,15,16)
InChIKeyICFXVSMVPFRVJU-UHFFFAOYSA-N
XLogP2.19
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyphenyl)sulfanyl-3-nitrobenzenesulfonamide
CID 61030717
4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
CID 61032104
4-(4-hydroxyphenyl)sulfanylphenolate
CID 162468559
4-(4-aminophenyl)sulfanylphenol
CID 22026416
4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
CID 61031097
2-(4-sulfamoylphenyl)sulfanylacetic acid
CID 43453735
CID 70636806
CID 70636806
CID 6327779
CID 6327779
4-(4-iodophenyl)sulfanylphenol
CID 91879526
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
4-pyridin-4-ylsulfanylphenol
CID 15080669

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide (CID 54911444) is 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide is NS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide?
The InChIKey is ICFXVSMVPFRVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8,14H,(H2,13,15,16).
What are the key properties of 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide?
4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide has a molecular weight of 281.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 54911444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).