4-(difluoromethylsulfonyl)benzohydrazide

C8H8F2N2O3S — CID 703325

IUPAC4-(difluoromethylsulfonyl)benzohydrazide
SMILESNNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H8F2N2O3S/c9-8(10)16(14,15)6-3-1-5(2-4-6)7(13)12-11/h1-4,8H,11H2,(H,12,13)
InChIKeyMXYVAJIVTBVNFC-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.29
Rot. Bonds3

About 4-(difluoromethylsulfonyl)benzohydrazide

4-(difluoromethylsulfonyl)benzohydrazide (PubChem CID 703325) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)benzohydrazide
PubChem CID703325
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC Name4-(difluoromethylsulfonyl)benzohydrazide
SMILESNNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H8F2N2O3S/c9-8(10)16(14,15)6-3-1-5(2-4-6)7(13)12-11/h1-4,8H,11H2,(H,12,13)
InChIKeyMXYVAJIVTBVNFC-UHFFFAOYSA-N
XLogP0.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-methylsulfonylbenzohydrazide
CID 11042107
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 51152969
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
CID 2446042
(2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292250
(2S)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292248

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)benzohydrazide?
The IUPAC name of 4-(difluoromethylsulfonyl)benzohydrazide (CID 703325) is 4-(difluoromethylsulfonyl)benzohydrazide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)benzohydrazide?
The canonical SMILES for 4-(difluoromethylsulfonyl)benzohydrazide is NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)benzohydrazide?
The InChIKey is MXYVAJIVTBVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c9-8(10)16(14,15)6-3-1-5(2-4-6)7(13)12-11/h1-4,8H,11H2,(H,12,13).
What are the key properties of 4-(difluoromethylsulfonyl)benzohydrazide?
4-(difluoromethylsulfonyl)benzohydrazide has a molecular weight of 250.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)benzohydrazide is sourced from PubChem (CID 703325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).