N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

C19H19ClFN3O6S — CID 2533167

IUPACN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyKSYNEVQBVXQRCY-UHFFFAOYSA-N
MW471.89 g/mol
LogP1.58
Rot. Bonds5

About N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2533167) has the molecular formula C19H19ClFN3O6S and a molecular weight of 471.89 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2533167
Molecular FormulaC19H19ClFN3O6S
Molecular Weight471.89 g/mol
Exact Mass471.07
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyKSYNEVQBVXQRCY-UHFFFAOYSA-N
XLogP1.58
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.89
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (CID 2533167) is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is KSYNEVQBVXQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 471.89 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2533167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).