N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide

C13H13FN2O4S — CID 31819901

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H13FN2O4S/c14-10-3-5-11(6-4-10)21(18,19)16-8-7-15-13(17)12-2-1-9-20-12/h1-6,9,16H,7-8H2,(H,15,17)
InChIKeyKICLREGVHFRNCA-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.13
Rot. Bonds6

About N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide

N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide (PubChem CID 31819901) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
PubChem CID31819901
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H13FN2O4S/c14-10-3-5-11(6-4-10)21(18,19)16-8-7-15-13(17)12-2-1-9-20-12/h1-6,9,16H,7-8H2,(H,15,17)
InChIKeyKICLREGVHFRNCA-UHFFFAOYSA-N
XLogP1.13
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide (CID 31819901) is N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The InChIKey is KICLREGVHFRNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c14-10-3-5-11(6-4-10)21(18,19)16-8-7-15-13(17)12-2-1-9-20-12/h1-6,9,16H,7-8H2,(H,15,17).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide?
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 31819901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).