N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide

C16H14F2N2O4S — CID 8913372

IUPACN'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O4S/c1-10-2-4-11(5-3-10)14(21)19-20-15(22)12-6-8-13(9-7-12)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)
InChIKeyVXCJCRWVNSIGSX-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.07
Rot. Bonds4

About N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide

N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide (PubChem CID 8913372) has the molecular formula C16H14F2N2O4S and a molecular weight of 368.36 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
PubChem CID8913372
Molecular FormulaC16H14F2N2O4S
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC NameN'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O4S/c1-10-2-4-11(5-3-10)14(21)19-20-15(22)12-6-8-13(9-7-12)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)
InChIKeyVXCJCRWVNSIGSX-UHFFFAOYSA-N
XLogP2.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.07
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

4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55454420
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 8696693
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-[(1S)-2,2-dichloro-1-(4-methylphenyl)sulfonylethyl]-4-methylbenzamide
CID 98328936

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide (CID 8913372) is N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide?
The InChIKey is VXCJCRWVNSIGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4S/c1-10-2-4-11(5-3-10)14(21)19-20-15(22)12-6-8-13(9-7-12)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide?
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide has a molecular weight of 368.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 8913372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).