N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide

C23H23FN2O4S — CID 42726365

IUPACN-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCCN(C(=O)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-12-14-22(15-13-21)31(28,29)25-16-5-17-26(20-10-8-19(24)9-11-20)23(27)18-6-3-2-4-7-18/h2-4,6-15,25H,5,16-17H2,1H3
InChIKeyYXMBZOASHIIKCL-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.85
Rot. Bonds9

About N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide

N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide (PubChem CID 42726365) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
PubChem CID42726365
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCCN(C(=O)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-12-14-22(15-13-21)31(28,29)25-16-5-17-26(20-10-8-19(24)9-11-20)23(27)18-6-3-2-4-7-18/h2-4,6-15,25H,5,16-17H2,1H3
InChIKeyYXMBZOASHIIKCL-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 42726216
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-(4-fluorophenyl)-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 42724477
3-(2-methoxyphenyl)-1-[3-(naphthalen-2-ylsulfonylamino)propyl]-1-(4-phenoxyphenyl)urea
CID 42707039
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
CID 7993662
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide (CID 42726365) is N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide is COc1ccc(S(=O)(=O)NCCCN(C(=O)c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide?
The InChIKey is YXMBZOASHIIKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-30-21-12-14-22(15-13-21)31(28,29)25-16-5-17-26(20-10-8-19(24)9-11-20)23(27)18-6-3-2-4-7-18/h2-4,6-15,25H,5,16-17H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide?
N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide has a molecular weight of 442.51 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide is sourced from PubChem (CID 42726365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).