N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide

C15H11F2N3O3S2 — CID 7600527

IUPACN'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)25(22,23)8-14(21)19-20-15-18-12-6-3-10(17)7-13(12)24-15/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYHWFOOHQEBCEIP-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.49
Rot. Bonds5

About N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide

N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide (PubChem CID 7600527) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
PubChem CID7600527
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC NameN'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)25(22,23)8-14(21)19-20-15-18-12-6-3-10(17)7-13(12)24-15/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYHWFOOHQEBCEIP-UHFFFAOYSA-N
XLogP2.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600565
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108
N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide
CID 7600433
3-(4-fluorophenyl)sulfonyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)propanehydrazide
CID 7600479
N'-(4-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 43953357
2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
CID 43953398
ethyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41151824
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 18585976
2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide
CID 7600170

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide (CID 7600527) is N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide is O=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(F)cc2s1.
What is the InChIKey of N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is YHWFOOHQEBCEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)25(22,23)8-14(21)19-20-15-18-12-6-3-10(17)7-13(12)24-15/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 383.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 7600527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).