N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide

C20H10ClF6NO3S — CID 170318847

IUPACN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C20H10ClF6NO3S/c21-11-8-12(22)10(15-16(23)18(25)20(27)19(26)17(15)24)7-13(11)32(30,31)28-14(29)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,28,29)
InChIKeyCEWHSJRWVQSBDK-UHFFFAOYSA-N
MW493.81 g/mol
LogP4.89
Rot. Bonds5

About N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide

N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide (PubChem CID 170318847) has the molecular formula C20H10ClF6NO3S and a molecular weight of 493.81 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide
PubChem CID170318847
Molecular FormulaC20H10ClF6NO3S
Molecular Weight493.81 g/mol
Exact Mass493.00
IUPAC NameN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C20H10ClF6NO3S/c21-11-8-12(22)10(15-16(23)18(25)20(27)19(26)17(15)24)7-13(11)32(30,31)28-14(29)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,28,29)
InChIKeyCEWHSJRWVQSBDK-UHFFFAOYSA-N
XLogP4.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56680358
4-chloro-N-[2-(4-chlorophenyl)acetyl]benzene-sulfonamide
CID 24179332
N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide
CID 47108694
2-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 56663333
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,3-difluorophenyl)acetamide
CID 75378693
N-(5-acetyl-2-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 71847388
trans-(1S,3S)-N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-phenylcyclopentane-1-carboxamide
CID 164639691
(2R)-N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
CID 69411018
N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
CID 69411019
1-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 137542824
1-[2-Chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylcyclohexane-1-carboxamide
CID 169794008

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide?
The IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide (CID 170318847) is N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide is O=C(Cc1ccccc1)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide?
The InChIKey is CEWHSJRWVQSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF6NO3S/c21-11-8-12(22)10(15-16(23)18(25)20(27)19(26)17(15)24)7-13(11)32(30,31)28-14(29)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,28,29).
What are the key properties of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide?
N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide has a molecular weight of 493.81 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-2-phenylacetamide is sourced from PubChem (CID 170318847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).