2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide

C15H10ClF2N3O3S2 — CID 43953398

IUPAC2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H10ClF2N3O3S2/c16-8-1-3-10(4-2-8)26(23,24)7-13(22)20-21-15-19-14-11(18)5-9(17)6-12(14)25-15/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyBEERVDIVROGBDG-UHFFFAOYSA-N
MW417.85 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide

2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 43953398) has the molecular formula C15H10ClF2N3O3S2 and a molecular weight of 417.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID43953398
Molecular FormulaC15H10ClF2N3O3S2
Molecular Weight417.85 g/mol
Exact Mass416.98
IUPAC Name2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H10ClF2N3O3S2/c16-8-1-3-10(4-2-8)26(23,24)7-13(22)20-21-15-19-14-11(18)5-9(17)6-12(14)25-15/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyBEERVDIVROGBDG-UHFFFAOYSA-N
XLogP3.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.14
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'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
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-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544182
N'-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanehydrazide
CID 43953418
4-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 18553510
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
CID 7600080
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544666
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 16814085
2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7599941

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide (CID 43953398) is 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is BEERVDIVROGBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O3S2/c16-8-1-3-10(4-2-8)26(23,24)7-13(22)20-21-15-19-14-11(18)5-9(17)6-12(14)25-15/h1-6H,7H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide?
2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 417.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 43953398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).