3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C19H14F3N3O5S — CID 2084455

IUPAC3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N3O5S/c20-19(21,22)13-5-2-6-14(11-13)25-31(28,29)15-7-1-4-12(10-15)17(26)23-24-18(27)16-8-3-9-30-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKeyHGMICNTYMHLITO-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.17
Rot. Bonds5

About 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2084455) has the molecular formula C19H14F3N3O5S and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2084455
Molecular FormulaC19H14F3N3O5S
Molecular Weight453.40 g/mol
Exact Mass453.06
IUPAC Name3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N3O5S/c20-19(21,22)13-5-2-6-14(11-13)25-31(28,29)15-7-1-4-12(10-15)17(26)23-24-18(27)16-8-3-9-30-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKeyHGMICNTYMHLITO-UHFFFAOYSA-N
XLogP3.17
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3,3-dimethylbutanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24541072
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
3-[[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 25391204
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 24539137
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55529114
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292

Frequently Asked Questions

What is the IUPAC name of 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2084455) is 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HGMICNTYMHLITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O5S/c20-19(21,22)13-5-2-6-14(11-13)25-31(28,29)15-7-1-4-12(10-15)17(26)23-24-18(27)16-8-3-9-30-16/h1-11,25H,(H,23,26)(H,24,27).
What are the key properties of 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 453.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2084455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).