N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

C17H18FN3O6S2 — CID 2108387

IUPACN'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18FN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQZPOHXXSAPWDHY-UHFFFAOYSA-N
MW443.48 g/mol
LogP0.47
Rot. Bonds6

About N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2108387) has the molecular formula C17H18FN3O6S2 and a molecular weight of 443.48 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2108387
Molecular FormulaC17H18FN3O6S2
Molecular Weight443.48 g/mol
Exact Mass443.06
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18FN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQZPOHXXSAPWDHY-UHFFFAOYSA-N
XLogP0.47
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2358276
4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 2439280
N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2445760
3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
CID 4283114
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-2-fluorobenzohydrazide
CID 4877378
3-(Morpholine-4-sulfonyl)benzohydrazide
CID 877246
N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140002
N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472585
N-benzyl-2-fluoro-5-(4-morpholinylsulfonyl)benzamide
CID 2107276
N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2405718
N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2427623
N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2569803

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2108387) is N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is QZPOHXXSAPWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 443.48 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2108387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).