5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C18H20Cl2N2O4S — CID 5309150

IUPAC5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C18H20Cl2N2O4S/c19-14-4-3-5-15(20)17(14)27(24,25)12-13-6-7-16(26-13)18(23)21-8-11-22-9-1-2-10-22/h3-7H,1-2,8-12H2,(H,21,23)
InChIKeyAXLLKSKINQEWDL-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.39
Rot. Bonds7

About 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 5309150) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID5309150
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C18H20Cl2N2O4S/c19-14-4-3-5-15(20)17(14)27(24,25)12-13-6-7-16(26-13)18(23)21-8-11-22-9-1-2-10-22/h3-7H,1-2,8-12H2,(H,21,23)
InChIKeyAXLLKSKINQEWDL-UHFFFAOYSA-N
XLogP3.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 5307454
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 3240515
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42858759
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 5309150) is 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is AXLLKSKINQEWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c19-14-4-3-5-15(20)17(14)27(24,25)12-13-6-7-16(26-13)18(23)21-8-11-22-9-1-2-10-22/h3-7H,1-2,8-12H2,(H,21,23).
What are the key properties of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 431.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 5309150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).