N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide

C14H14Cl2N2O4S — CID 113071927

IUPACN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(10-4-5-11(15)12(16)9-10)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyXJEVKRMOLIYGDI-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide

N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide (PubChem CID 113071927) has the molecular formula C14H14Cl2N2O4S and a molecular weight of 377.25 g/mol. Its IUPAC name is N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
PubChem CID113071927
Molecular FormulaC14H14Cl2N2O4S
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC NameN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(10-4-5-11(15)12(16)9-10)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyXJEVKRMOLIYGDI-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071817
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113070154
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
CID 126180652
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113067658

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide (CID 113071927) is N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide is CS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The InChIKey is XJEVKRMOLIYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(10-4-5-11(15)12(16)9-10)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide has a molecular weight of 377.25 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113071927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).