N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide

C25H19FN2O4S — CID 138005721

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30)
InChIKeyGPXQUPCJIJBXHJ-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.25
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide (PubChem CID 138005721) has the molecular formula C25H19FN2O4S and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
PubChem CID138005721
Molecular FormulaC25H19FN2O4S
Molecular Weight462.50 g/mol
Exact Mass462.10
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30)
InChIKeyGPXQUPCJIJBXHJ-UHFFFAOYSA-N
XLogP5.25
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide
CID 162645391
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide
CID 2102937
N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24686694
N-(4-(N-(3,5-Difluoro-4-hydroxyphenyl)sulfamoyl)phenyl)-benzamide
CID 49837277
[4-(Naphthalene-2-carbonylamino)phenyl] 4-fluorobenzenesulfonate
CID 155556622
N-[4-hydroxy-3-(methanesulfonamido)phenyl]-4-phenylbenzamide
CID 156260360
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 2441718
N-(2-hydroxyphenyl)-4-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 11362273
3-[(4-fluoroanilino)sulfonyl]-N-(2-hydroxyphenyl)benzamide
CID 992247
4-fluoro-N-(4-hydroxyphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1310208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide (CID 138005721) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide is O=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The InChIKey is GPXQUPCJIJBXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide has a molecular weight of 462.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 138005721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).