N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide

C20H21ClFN3O5S — CID 71267393

IUPACN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C20H21ClFN3O5S/c1-30-18-8-5-13(21)11-16(18)20(27)24-23-19(26)15-12-14(6-7-17(15)22)31(28,29)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26)(H,24,27)
InChIKeyOVJBEWBSCUVRPE-UHFFFAOYSA-N
MW469.92 g/mol
LogP2.74
Rot. Bonds5

About N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide

N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 71267393) has the molecular formula C20H21ClFN3O5S and a molecular weight of 469.92 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID71267393
Molecular FormulaC20H21ClFN3O5S
Molecular Weight469.92 g/mol
Exact Mass469.09
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C20H21ClFN3O5S/c1-30-18-8-5-13(21)11-16(18)20(27)24-23-19(26)15-12-14(6-7-17(15)22)31(28,29)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26)(H,24,27)
InChIKeyOVJBEWBSCUVRPE-UHFFFAOYSA-N
XLogP2.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.92
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide (CID 71267393) is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is OVJBEWBSCUVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O5S/c1-30-18-8-5-13(21)11-16(18)20(27)24-23-19(26)15-12-14(6-7-17(15)22)31(28,29)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 469.92 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 71267393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).