(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide

C24H16Cl3N2O5S- — CID 4748157

IUPAC(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H16Cl3N2O5S/c25-15-1-4-18(5-2-15)29-35(31,32)20-9-6-17(7-10-20)28-24(30)22-12-8-19(34-22)14-33-23-13-16(26)3-11-21(23)27/h1-13H,14H2,(H,28,30)/q-1
InChIKeyAWDVSEZYMZSIII-UHFFFAOYSA-N
MW550.83 g/mol
LogP7.47
Rot. Bonds8

About (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide

(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide (PubChem CID 4748157) has the molecular formula C24H16Cl3N2O5S- and a molecular weight of 550.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
PubChem CID4748157
Molecular FormulaC24H16Cl3N2O5S-
Molecular Weight550.83 g/mol
Exact Mass548.99
IUPAC Name(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H16Cl3N2O5S/c25-15-1-4-18(5-2-15)29-35(31,32)20-9-6-17(7-10-20)28-24(30)22-12-8-19(34-22)14-33-23-13-16(26)3-11-21(23)27/h1-13H,14H2,(H,28,30)/q-1
InChIKeyAWDVSEZYMZSIII-UHFFFAOYSA-N
XLogP7.47
TPSA99.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide with MolForge

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Related Compounds

5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
methyl 3-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 1009164
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide?
The IUPAC name of (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide (CID 4748157) is (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide.
What is the SMILES notation for (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide?
The canonical SMILES for (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide is O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide?
The InChIKey is AWDVSEZYMZSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3N2O5S/c25-15-1-4-18(5-2-15)29-35(31,32)20-9-6-17(7-10-20)28-24(30)22-12-8-19(34-22)14-33-23-13-16(26)3-11-21(23)27/h1-13H,14H2,(H,28,30)/q-1.
What are the key properties of (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide?
(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide has a molecular weight of 550.83 g/mol, XLogP of 7.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide is sourced from PubChem (CID 4748157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).