N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide

C18H20FN3O5S2 — CID 1140003

IUPACN'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20FN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23)
InChIKeyFOHRIYWXIKTXKV-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.62
Rot. Bonds6

About N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide

N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 1140003) has the molecular formula C18H20FN3O5S2 and a molecular weight of 441.51 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID1140003
Molecular FormulaC18H20FN3O5S2
Molecular Weight441.51 g/mol
Exact Mass441.08
IUPAC NameN'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20FN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23)
InChIKeyFOHRIYWXIKTXKV-UHFFFAOYSA-N
XLogP1.62
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-(azepan-1-ylsulfonyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886262
4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
CID 171983464
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26969476
N'-(4-acetylphenyl)sulfonyl-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 26969406
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide (CID 1140003) is N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is FOHRIYWXIKTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 441.51 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 1140003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).