4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C15H10F3N3O4S2 — CID 137349068

IUPAC4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
InChIKeyRGVVHQNJKUNSFQ-WDZFZDKYSA-N
MW417.39 g/mol
LogP2.75
Rot. Bonds3

About 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 137349068) has the molecular formula C15H10F3N3O4S2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID137349068
Molecular FormulaC15H10F3N3O4S2
Molecular Weight417.39 g/mol
Exact Mass417.01
IUPAC Name4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
InChIKeyRGVVHQNJKUNSFQ-WDZFZDKYSA-N
XLogP2.75
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 137349068) is 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is [H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)o2)S1.
What is the InChIKey of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RGVVHQNJKUNSFQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-.
What are the key properties of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 137349068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).