2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide

C19H22FN3O4S — CID 134580951

IUPAC2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CNCCO2)c1F
InChIInChI=1S/C19H22FN3O4S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(24)22-23-28(25,26)12-16-11-21-7-8-27-16/h2-6,9-10,16,21,23H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyBLLHZGYPECJSFW-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.35
Rot. Bonds6

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

2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide (PubChem CID 134580951) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide
PubChem CID134580951
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CNCCO2)c1F
InChIInChI=1S/C19H22FN3O4S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(24)22-23-28(25,26)12-16-11-21-7-8-27-16/h2-6,9-10,16,21,23H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyBLLHZGYPECJSFW-UHFFFAOYSA-N
XLogP1.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholine-4-sulfonyl)-benzoic acid N'-(3-methyl-benzoyl)-hydrazide
CID 1146586
N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2108387
Tert-butyl 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134581174
Tert-butyl 2-[[[3-chloro-2-fluoro-5-(3-methylphenyl)benzoyl]amino]sulfamoylmethyl]morpholine-4-carboxylate
CID 167076553
3-chloro-2-fluoro-N'-[(4-methylmorpholin-2-yl)methylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076629
2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 134581179
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(pyrrolidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076279
2-fluoro-N'-[3-(methylamino)propylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076281
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-(morpholin-2-ylmethylsulfonyl)benzohydrazide
CID 167076487
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076554
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-[[(3S)-piperidin-3-yl]methylsulfonyl]benzohydrazide
CID 167076709
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-(1-piperidin-3-ylethylsulfonyl)benzohydrazide
CID 167076715

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide (CID 134580951) is 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CNCCO2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide?
The InChIKey is BLLHZGYPECJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(24)22-23-28(25,26)12-16-11-21-7-8-27-16/h2-6,9-10,16,21,23H,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide?
2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide has a molecular weight of 407.47 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N'-(morpholin-2-ylmethylsulfonyl)-5-phenylbenzohydrazide is sourced from PubChem (CID 134580951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).