3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide

C16H14N2O6S2 — CID 168527507

IUPAC3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c(-c3ccco3)c2)c1
InChIInChI=1S/C16H14N2O6S2/c17-25(20,21)12-4-1-3-11(9-12)18-26(22,23)13-6-7-15(19)14(10-13)16-5-2-8-24-16/h1-10,18-19H,(H2,17,20,21)
InChIKeyUJXKBPPNRVRIHL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.10
Rot. Bonds5

About 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide

3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide (PubChem CID 168527507) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide
PubChem CID168527507
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c(-c3ccco3)c2)c1
InChIInChI=1S/C16H14N2O6S2/c17-25(20,21)12-4-1-3-11(9-12)18-26(22,23)13-6-7-15(19)14(10-13)16-5-2-8-24-16/h1-10,18-19H,(H2,17,20,21)
InChIKeyUJXKBPPNRVRIHL-UHFFFAOYSA-N
XLogP2.10
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-sulfamoylphenyl)benzamide
CID 4844447
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide (CID 168527507) is 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c(-c3ccco3)c2)c1.
What is the InChIKey of 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is UJXKBPPNRVRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c17-25(20,21)12-4-1-3-11(9-12)18-26(22,23)13-6-7-15(19)14(10-13)16-5-2-8-24-16/h1-10,18-19H,(H2,17,20,21).
What are the key properties of 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide?
3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 394.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 168527507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).