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

C14H10ClN3O4S2 — CID 23647658

IUPAC4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(Cl)c3)o2)S1
InChIInChI=1S/C14H10ClN3O4S2/c15-9-5-7(1-4-12(9)24(17,20)21)10-3-2-8(22-10)6-11-13(19)18-14(16)23-11/h1-6H,(H2,16,18,19)(H2,17,20,21)/b11-6-
InChIKeyAWYIDZJUHWGVPJ-WDZFZDKYSA-N
MW383.84 g/mol
LogP2.18
Rot. Bonds3

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

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide (PubChem CID 23647658) has the molecular formula C14H10ClN3O4S2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide
PubChem CID23647658
Molecular FormulaC14H10ClN3O4S2
Molecular Weight383.84 g/mol
Exact Mass382.98
IUPAC Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide
SMILESNC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(Cl)c3)o2)S1
InChIInChI=1S/C14H10ClN3O4S2/c15-9-5-7(1-4-12(9)24(17,20)21)10-3-2-8(22-10)6-11-13(19)18-14(16)23-11/h1-6H,(H2,16,18,19)(H2,17,20,21)/b11-6-
InChIKeyAWYIDZJUHWGVPJ-WDZFZDKYSA-N
XLogP2.18
TPSA128.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.18
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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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-chlorobenzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide (CID 23647658) is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide is NC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(Cl)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-chlorobenzenesulfonamide?
The InChIKey is AWYIDZJUHWGVPJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H10ClN3O4S2/c15-9-5-7(1-4-12(9)24(17,20)21)10-3-2-8(22-10)6-11-13(19)18-14(16)23-11/h1-6H,(H2,16,18,19)(H2,17,20,21)/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-chlorobenzenesulfonamide?
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-2-chlorobenzenesulfonamide has a molecular weight of 383.84 g/mol, XLogP of 2.18, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 23647658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).