N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide

C20H17FN2O3S — CID 133053564

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyPHHZKBMVRPULAW-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.42
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 133053564) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID133053564
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyPHHZKBMVRPULAW-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide (CID 133053564) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is PHHZKBMVRPULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 384.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 133053564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).