N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide

C11H7Cl2FN2O3S2 — CID 29099080

IUPACN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O3S2/c12-9-5-8(10(13)20-9)21(18,19)16-15-11(17)6-3-1-2-4-7(6)14/h1-5,16H,(H,15,17)
InChIKeyIHBIOTQPZJLPKU-UHFFFAOYSA-N
MW369.23 g/mol
LogP2.82
Rot. Bonds4

About N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide

N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide (PubChem CID 29099080) has the molecular formula C11H7Cl2FN2O3S2 and a molecular weight of 369.23 g/mol. Its IUPAC name is N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
PubChem CID29099080
Molecular FormulaC11H7Cl2FN2O3S2
Molecular Weight369.23 g/mol
Exact Mass367.93
IUPAC NameN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O3S2/c12-9-5-8(10(13)20-9)21(18,19)16-15-11(17)6-3-1-2-4-7(6)14/h1-5,16H,(H,15,17)
InChIKeyIHBIOTQPZJLPKU-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 39769818
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide
CID 27658205
2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155926750
N'-(2-fluoro-5-methylphenyl)sulfonyl-2-hydroxybenzohydrazide
CID 60532960
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
CID 112839247
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
2-fluoro-N'-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonyl]benzohydrazide
CID 166380102
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide (CID 29099080) is N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1F.
What is the InChIKey of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide?
The InChIKey is IHBIOTQPZJLPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O3S2/c12-9-5-8(10(13)20-9)21(18,19)16-15-11(17)6-3-1-2-4-7(6)14/h1-5,16H,(H,15,17).
What are the key properties of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide?
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide has a molecular weight of 369.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 29099080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).