2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide

C13H12ClFN2O4S — CID 38254473

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccco1
InChIInChI=1S/C13H12ClFN2O4S/c14-11-6-10(3-4-12(11)15)22(19,20)17-8-13(18)16-7-9-2-1-5-21-9/h1-6,17H,7-8H2,(H,16,18)
InChIKeyKSLCNEGGBMLFKR-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.67
Rot. Bonds6

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 38254473) has the molecular formula C13H12ClFN2O4S and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID38254473
Molecular FormulaC13H12ClFN2O4S
Molecular Weight346.77 g/mol
Exact Mass346.02
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccco1
InChIInChI=1S/C13H12ClFN2O4S/c14-11-6-10(3-4-12(11)15)22(19,20)17-8-13(18)16-7-9-2-1-5-21-9/h1-6,17H,7-8H2,(H,16,18)
InChIKeyKSLCNEGGBMLFKR-UHFFFAOYSA-N
XLogP1.67
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118591
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 52813347
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide (CID 38254473) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccco1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KSLCNEGGBMLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O4S/c14-11-6-10(3-4-12(11)15)22(19,20)17-8-13(18)16-7-9-2-1-5-21-9/h1-6,17H,7-8H2,(H,16,18).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 38254473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).