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

C15H13N3O4S2 — CID 137349070

IUPAC4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C(\C)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1
InChIInChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-
InChIKeyAKFVRSQELXTCFW-JYRVWZFOSA-N
MW363.42 g/mol
LogP2.12
Rot. Bonds3

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

4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide (PubChem CID 137349070) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide
PubChem CID137349070
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C(\C)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1
InChIInChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-
InChIKeyAKFVRSQELXTCFW-JYRVWZFOSA-N
XLogP2.12
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.12
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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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-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide
CID 23647657
4-(5-((Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl)-2-Furyl)-N-Methylbenzenesulfonamide
CID 137349058
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
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 137349069
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
N-[2-(dimethylamino)ethyl]-4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 137628998

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide (CID 137349070) is 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide is [H]/N=C1\NC(=O)/C(=C(\C)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1.
What is the InChIKey of 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide?
The InChIKey is AKFVRSQELXTCFW-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-.
What are the key properties of 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide?
4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide has a molecular weight of 363.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1Z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 137349070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).