6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide

C17H19FN2O3S — CID 134581392

IUPAC6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide
SMILESCc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)C(C)C
InChIInChI=1S/C17H19FN2O3S/c1-11(2)24(22,23)20-19-17(21)16-12(3)14(9-10-15(16)18)13-7-5-4-6-8-13/h4-11,20H,1-3H3,(H,19,21)
InChIKeyQJXOGBWFIMUPST-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.77
Rot. Bonds5

About 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide

6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide (PubChem CID 134581392) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide
PubChem CID134581392
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide
SMILESCc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)C(C)C
InChIInChI=1S/C17H19FN2O3S/c1-11(2)24(22,23)20-19-17(21)16-12(3)14(9-10-15(16)18)13-7-5-4-6-8-13/h4-11,20H,1-3H3,(H,19,21)
InChIKeyQJXOGBWFIMUPST-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.77
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

6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
CID 134581276
N'-(benzenesulfonyl)-2-fluoro-6-phenylbenzohydrazide
CID 134581170
N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide
CID 134581210
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
1-fluoro-2-methyl-3,4-diphenylbenzene
CID 90266529
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
2,6-dimethyl-3-phenylbenzamide;hydrochloride
CID 175606974
1-fluoro-3-methyl-4-phenyl-2-propan-2-ylbenzene;1-fluoro-5-methyl-4-phenyl-2-propan-2-ylbenzene
CID 142366367
2-tert-butyl-1-fluoro-3-methyl-4-phenylbenzene
CID 164927276
2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
CID 67628523
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide?
The IUPAC name of 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide (CID 134581392) is 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide is Cc1c(-c2ccccc2)ccc(F)c1C(=O)NNS(=O)(=O)C(C)C.
What is the InChIKey of 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide?
The InChIKey is QJXOGBWFIMUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11(2)24(22,23)20-19-17(21)16-12(3)14(9-10-15(16)18)13-7-5-4-6-8-13/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide?
6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 134581392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).