5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide

C21H15Cl2N3O4S2 — CID 18809223

IUPAC5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H15Cl2N3O4S2/c1-12-16(11-19(30-12)13-2-7-17(22)18(23)10-13)20(27)25-14-3-5-15(6-4-14)32(28,29)26-21-24-8-9-31-21/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyCRPMMLGXUFSGOH-UHFFFAOYSA-N
MW508.41 g/mol
LogP6.07
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide

5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide (PubChem CID 18809223) has the molecular formula C21H15Cl2N3O4S2 and a molecular weight of 508.41 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
PubChem CID18809223
Molecular FormulaC21H15Cl2N3O4S2
Molecular Weight508.41 g/mol
Exact Mass506.99
IUPAC Name5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H15Cl2N3O4S2/c1-12-16(11-19(30-12)13-2-7-17(22)18(23)10-13)20(27)25-14-3-5-15(6-4-14)32(28,29)26-21-24-8-9-31-21/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyCRPMMLGXUFSGOH-UHFFFAOYSA-N
XLogP6.07
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide with MolForge

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809202
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide (CID 18809223) is 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide is Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The InChIKey is CRPMMLGXUFSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4S2/c1-12-16(11-19(30-12)13-2-7-17(22)18(23)10-13)20(27)25-14-3-5-15(6-4-14)32(28,29)26-21-24-8-9-31-21/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide has a molecular weight of 508.41 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 18809223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).