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

C15H10F3N3O4S2 — CID 23647657

IUPAC4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNC1=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
LogP2.54
Rot. Bonds3

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

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 23647657) has the molecular formula C15H10F3N3O4S2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID23647657
Molecular FormulaC15H10F3N3O4S2
Molecular Weight417.39 g/mol
Exact Mass417.01
IUPAC Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNC1=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
XLogP2.54
TPSA128.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide
CID 5729339
4-{5-[(Z)-(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}benzenesulfonamide
CID 5828196
4-(5-((Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl)-2-Furyl)-N-Methylbenzenesulfonamide
CID 137349058
4-(5-((1Z)-1-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl)-2-furyl)benzenesulfonamide
CID 137349070
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide
CID 137349062
4-{5-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}-2-(trifluoromethyl)benzenesulfonamide
CID 137349068
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzene-1-sulfonamide
CID 23647652
4-(5-{1-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzene-1-sulfonamide
CID 23647659
N-[2-(dimethylamino)ethyl]-4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
CID 23647653
2-chloro-4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
CID 23647658
(5Z)-2-imino-5-({5-[4-(piperazine-1-sulfonyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one
CID 23647654
(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide
CID 135950151

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 23647657) is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is NC1=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-amino-4-oxo-1,3-thiazol-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-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23647657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).