4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide

C13H13ClN4O4S2 — CID 3079258

IUPAC4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)Nc1nccs1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O4S2/c14-9-1-3-10(4-2-9)24(21,22)18-17-12(20)6-5-11(19)16-13-15-7-8-23-13/h1-4,7-8,18H,5-6H2,(H,17,20)(H,15,16,19)
InChIKeyHBVWUULAFWVODN-UHFFFAOYSA-N
MW388.86 g/mol
LogP1.52
Rot. Bonds7

About 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide

4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3079258) has the molecular formula C13H13ClN4O4S2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID3079258
Molecular FormulaC13H13ClN4O4S2
Molecular Weight388.86 g/mol
Exact Mass388.01
IUPAC Name4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)Nc1nccs1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O4S2/c14-9-1-3-10(4-2-9)24(21,22)18-17-12(20)6-5-11(19)16-13-15-7-8-23-13/h1-4,7-8,18H,5-6H2,(H,17,20)(H,15,16,19)
InChIKeyHBVWUULAFWVODN-UHFFFAOYSA-N
XLogP1.52
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 3079258) is 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide is O=C(CCC(=O)Nc1nccs1)NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is HBVWUULAFWVODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4S2/c14-9-1-3-10(4-2-9)24(21,22)18-17-12(20)6-5-11(19)16-13-15-7-8-23-13/h1-4,7-8,18H,5-6H2,(H,17,20)(H,15,16,19).
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 388.86 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3079258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).