5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C18H18ClN3O6S — CID 24981101

IUPAC5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN3O6S/c19-13-4-5-16(23)15(11-13)18(25)21-20-17(24)12-2-1-3-14(10-12)29(26,27)22-6-8-28-9-7-22/h1-5,10-11,23H,6-9H2,(H,20,24)(H,21,25)
InChIKeyPMFSFEUIBPCONL-UHFFFAOYSA-N
MW439.88 g/mol
LogP1.14
Rot. Bonds4

About 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 24981101) has the molecular formula C18H18ClN3O6S and a molecular weight of 439.88 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID24981101
Molecular FormulaC18H18ClN3O6S
Molecular Weight439.88 g/mol
Exact Mass439.06
IUPAC Name5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN3O6S/c19-13-4-5-16(23)15(11-13)18(25)21-20-17(24)12-2-1-3-14(10-12)29(26,27)22-6-8-28-9-7-22/h1-5,10-11,23H,6-9H2,(H,20,24)(H,21,25)
InChIKeyPMFSFEUIBPCONL-UHFFFAOYSA-N
XLogP1.14
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 51.14
H-Bond Donors ≤ 53
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 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 24981101) is 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is O=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is PMFSFEUIBPCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O6S/c19-13-4-5-16(23)15(11-13)18(25)21-20-17(24)12-2-1-3-14(10-12)29(26,27)22-6-8-28-9-7-22/h1-5,10-11,23H,6-9H2,(H,20,24)(H,21,25).
What are the key properties of 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 439.88 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 24981101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).