4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide

C22H19F2N3O5S — CID 37041042

IUPAC4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19F2N3O5S/c1-32-20-11-8-17(12-19(20)27-33(30,31)18-9-6-16(24)7-10-18)26-21(28)13-25-22(29)14-2-4-15(23)5-3-14/h2-12,27H,13H2,1H3,(H,25,29)(H,26,28)
InChIKeyRRNWSTFVRYNYSC-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.14
Rot. Bonds8

About 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide (PubChem CID 37041042) has the molecular formula C22H19F2N3O5S and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
PubChem CID37041042
Molecular FormulaC22H19F2N3O5S
Molecular Weight475.47 g/mol
Exact Mass475.10
IUPAC Name4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19F2N3O5S/c1-32-20-11-8-17(12-19(20)27-33(30,31)18-9-6-16(24)7-10-18)26-21(28)13-25-22(29)14-2-4-15(23)5-3-14/h2-12,27H,13H2,1H3,(H,25,29)(H,26,28)
InChIKeyRRNWSTFVRYNYSC-UHFFFAOYSA-N
XLogP3.14
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide
CID 30483676
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide (CID 37041042) is 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide?
The InChIKey is RRNWSTFVRYNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O5S/c1-32-20-11-8-17(12-19(20)27-33(30,31)18-9-6-16(24)7-10-18)26-21(28)13-25-22(29)14-2-4-15(23)5-3-14/h2-12,27H,13H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide has a molecular weight of 475.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 37041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).