N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide

C20H16F2N2O3S — CID 134580936

IUPACN'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H16F2N2O3S/c1-13-12-16(14-8-4-2-5-9-14)19(22)17(18(13)21)20(25)23-24-28(26,27)15-10-6-3-7-11-15/h2-12,24H,1H3,(H,23,25)
InChIKeyIEKZTZPMKNWIEF-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.56
Rot. Bonds5

About N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide

N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 134580936) has the molecular formula C20H16F2N2O3S and a molecular weight of 402.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID134580936
Molecular FormulaC20H16F2N2O3S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC NameN'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H16F2N2O3S/c1-13-12-16(14-8-4-2-5-9-14)19(22)17(18(13)21)20(25)23-24-28(26,27)15-10-6-3-7-11-15/h2-12,24H,1H3,(H,23,25)
InChIKeyIEKZTZPMKNWIEF-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.56
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

2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 877350
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
N'-Benzoyl-4-fluorobenzenesulfonohydrazide
CID 809426
N'-(benzenesulfonyl)-3-(3-fluorophenyl)benzohydrazide
CID 124132127
N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 124132147

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide (CID 134580936) is N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is IEKZTZPMKNWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3S/c1-13-12-16(14-8-4-2-5-9-14)19(22)17(18(13)21)20(25)23-24-28(26,27)15-10-6-3-7-11-15/h2-12,24H,1H3,(H,23,25).
What are the key properties of N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide?
N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 402.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134580936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).