N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide

C18H13F3N2O4S — CID 31112069

IUPACN-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1)c1ccco1
InChIInChI=1S/C18H13F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)22-10-11-3-5-12(6-4-11)23-18(24)14-2-1-9-27-14/h1-9,22H,10H2,(H,23,24)
InChIKeyALIJBNPBBHYOGG-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.43
Rot. Bonds6

About N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 31112069) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID31112069
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC NameN-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1)c1ccco1
InChIInChI=1S/C18H13F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)22-10-11-3-5-12(6-4-11)23-18(24)14-2-1-9-27-14/h1-9,22H,10H2,(H,23,24)
InChIKeyALIJBNPBBHYOGG-UHFFFAOYSA-N
XLogP3.43
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
CID 31112265
N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
CID 17469437
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 112808765
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-[4-[(morpholin-4-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide
CID 55515575
N-[4-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112019
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide (CID 31112069) is N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1)c1ccco1.
What is the InChIKey of N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is ALIJBNPBBHYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)22-10-11-3-5-12(6-4-11)23-18(24)14-2-1-9-27-14/h1-9,22H,10H2,(H,23,24).
What are the key properties of N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 31112069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).