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

C15H11ClFN3O3S2 — CID 7600565

IUPACN'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClFN3O3S2/c16-9-1-6-12-13(7-9)24-15(18-12)20-19-14(21)8-25(22,23)11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyFFTVRKWVQIFKHU-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.01
Rot. Bonds5

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

N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide (PubChem CID 7600565) has the molecular formula C15H11ClFN3O3S2 and a molecular weight of 399.86 g/mol. Its IUPAC name is N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
PubChem CID7600565
Molecular FormulaC15H11ClFN3O3S2
Molecular Weight399.86 g/mol
Exact Mass398.99
IUPAC NameN'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClFN3O3S2/c16-9-1-6-12-13(7-9)24-15(18-12)20-19-14(21)8-25(22,23)11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyFFTVRKWVQIFKHU-UHFFFAOYSA-N
XLogP3.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.01
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-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
CID 43953398
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712
2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 7544410
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
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'-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600120
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)sulfonylacetamide
CID 41045263
N'-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanehydrazide
CID 43953452

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide (CID 7600565) is N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide is O=C(CS(=O)(=O)c1ccc(F)cc1)NNc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is FFTVRKWVQIFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S2/c16-9-1-6-12-13(7-9)24-15(18-12)20-19-14(21)8-25(22,23)11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide?
N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 399.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 7600565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).