N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide

C16H17FN2O3S — CID 135298632

IUPACN'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide
SMILESCCCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O3S/c1-2-6-12-7-5-8-13(11-12)16(20)18-19-23(21,22)15-10-4-3-9-14(15)17/h3-5,7-11,19H,2,6H2,1H3,(H,18,20)
InChIKeyOEXABQQSXVLXCB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.40
Rot. Bonds6

About N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide (PubChem CID 135298632) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide
PubChem CID135298632
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide
SMILESCCCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O3S/c1-2-6-12-7-5-8-13(11-12)16(20)18-19-23(21,22)15-10-4-3-9-14(15)17/h3-5,7-11,19H,2,6H2,1H3,(H,18,20)
InChIKeyOEXABQQSXVLXCB-UHFFFAOYSA-N
XLogP2.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 877350
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
N-{[(benzenesulfonyl)carbamoyl]amino}-2-sulfamoylbenzamide
CID 11188711
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 124132190
(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 134581289
N'-(4-Fluorobiphenyl-3-carbonyl)benzenesulfonohydrazide
CID 134581360
2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
CID 135298550
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide (CID 135298632) is N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide is CCCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide?
The InChIKey is OEXABQQSXVLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-2-6-12-7-5-8-13(11-12)16(20)18-19-23(21,22)15-10-4-3-9-14(15)17/h3-5,7-11,19H,2,6H2,1H3,(H,18,20).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide has a molecular weight of 336.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-propylbenzohydrazide is sourced from PubChem (CID 135298632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).