N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide

C20H13Cl2F3N2O5S — CID 25101475

IUPACN-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C20H13Cl2F3N2O5S/c1-33(30,31)27-19(29)13-7-6-12(22)8-15(13)26-18(28)14-9-16(32-17(14)20(23,24)25)10-2-4-11(21)5-3-10/h2-9H,1H3,(H,26,28)(H,27,29)
InChIKeyPCBDOPYCXGQNDU-UHFFFAOYSA-N
MW521.30 g/mol
LogP5.21
Rot. Bonds5

About N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide

N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 25101475) has the molecular formula C20H13Cl2F3N2O5S and a molecular weight of 521.30 g/mol. Its IUPAC name is N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID25101475
Molecular FormulaC20H13Cl2F3N2O5S
Molecular Weight521.30 g/mol
Exact Mass519.99
IUPAC NameN-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C20H13Cl2F3N2O5S/c1-33(30,31)27-19(29)13-7-6-12(22)8-15(13)26-18(28)14-9-16(32-17(14)20(23,24)25)10-2-4-11(21)5-3-10/h2-9H,1H3,(H,26,28)(H,27,29)
InChIKeyPCBDOPYCXGQNDU-UHFFFAOYSA-N
XLogP5.21
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.30
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
CID 87548006
5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 25101474
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 6067297
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
4-chloro-N-methylsulfonyl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzamide
CID 25064762
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
CID 54761409
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
N-(2,4-dichlorophenyl)-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809187

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide (CID 25101475) is N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide is CS(=O)(=O)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is PCBDOPYCXGQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O5S/c1-33(30,31)27-19(29)13-7-6-12(22)8-15(13)26-18(28)14-9-16(32-17(14)20(23,24)25)10-2-4-11(21)5-3-10/h2-9H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide?
N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 521.30 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 25101475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).