3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide

C23H22FN3O5S — CID 175830759

IUPAC3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H22FN3O5S/c24-20-14-17(6-8-19(20)16-4-2-1-3-5-16)23(29)25-18-7-9-22(28)21(15-18)26-33(30,31)27-10-12-32-13-11-27/h1-9,14-15,26,28H,10-13H2,(H,25,29)
InChIKeyHJHMMMLXOOQZBO-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.44
Rot. Bonds6

About 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide

3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide (PubChem CID 175830759) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide
PubChem CID175830759
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H22FN3O5S/c24-20-14-17(6-8-19(20)16-4-2-1-3-5-16)23(29)25-18-7-9-22(28)21(15-18)26-33(30,31)27-10-12-32-13-11-27/h1-9,14-15,26,28H,10-13H2,(H,25,29)
InChIKeyHJHMMMLXOOQZBO-UHFFFAOYSA-N
XLogP3.44
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
CID 175110326
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide?
The IUPAC name of 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide (CID 175830759) is 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide is O=C(Nc1ccc(O)c(NS(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide?
The InChIKey is HJHMMMLXOOQZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c24-20-14-17(6-8-19(20)16-4-2-1-3-5-16)23(29)25-18-7-9-22(28)21(15-18)26-33(30,31)27-10-12-32-13-11-27/h1-9,14-15,26,28H,10-13H2,(H,25,29).
What are the key properties of 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide?
3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide has a molecular weight of 471.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 175830759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).