4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide

C20H17FN2O4S — CID 112771839

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)ccc1F
InChIInChI=1S/C20H17FN2O4S/c1-13-12-18(10-11-19(13)21)28(26,27)23-16-4-2-14(3-5-16)20(25)22-15-6-8-17(24)9-7-15/h2-12,23-24H,1H3,(H,22,25)
InChIKeyZJPWRLMQHNIVMR-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.89
Rot. Bonds5

About 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide (PubChem CID 112771839) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
PubChem CID112771839
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)ccc1F
InChIInChI=1S/C20H17FN2O4S/c1-13-12-18(10-11-19(13)21)28(26,27)23-16-4-2-14(3-5-16)20(25)22-15-6-8-17(24)9-7-15/h2-12,23-24H,1H3,(H,22,25)
InChIKeyZJPWRLMQHNIVMR-UHFFFAOYSA-N
XLogP3.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24539662
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55957721
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide (CID 112771839) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide?
The InChIKey is ZJPWRLMQHNIVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-13-12-18(10-11-19(13)21)28(26,27)23-16-4-2-14(3-5-16)20(25)22-15-6-8-17(24)9-7-15/h2-12,23-24H,1H3,(H,22,25).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide?
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide has a molecular weight of 400.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 112771839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).