3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide

C16H11F3N2O5S — CID 8842704

IUPAC3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O5S/c17-16(18,19)26-9-5-7-10(8-6-9)27(23,24)21-13-11-3-1-2-4-12(11)25-14(13)15(20)22/h1-8,21H,(H2,20,22)
InChIKeyQWDPNUPVEQDRDC-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.23
Rot. Bonds5

About 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide

3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide (PubChem CID 8842704) has the molecular formula C16H11F3N2O5S and a molecular weight of 400.33 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
PubChem CID8842704
Molecular FormulaC16H11F3N2O5S
Molecular Weight400.33 g/mol
Exact Mass400.03
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O5S/c17-16(18,19)26-9-5-7-10(8-6-9)27(23,24)21-13-11-3-1-2-4-12(11)25-14(13)15(20)22/h1-8,21H,(H2,20,22)
InChIKeyQWDPNUPVEQDRDC-UHFFFAOYSA-N
XLogP3.23
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-difluorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842684
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
3-[(2,3-dichlorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842675
3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16813614
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842702
4-tert-butyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 24574556
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817556
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide (CID 8842704) is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide?
The InChIKey is QWDPNUPVEQDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O5S/c17-16(18,19)26-9-5-7-10(8-6-9)27(23,24)21-13-11-3-1-2-4-12(11)25-14(13)15(20)22/h1-8,21H,(H2,20,22).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide?
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide has a molecular weight of 400.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8842704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).