N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide

C21H19N3O7S — CID 2543495

IUPACN'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19N3O7S/c25-19(15-5-3-6-16(12-15)32(28,29)24-8-10-30-11-9-24)22-23-20(26)17-13-14-4-1-2-7-18(14)31-21(17)27/h1-7,12-13H,8-11H2,(H,22,25)(H,23,26)
InChIKeyXSPNXWXRBONENQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP0.89
Rot. Bonds4

About N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide

N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide (PubChem CID 2543495) has the molecular formula C21H19N3O7S and a molecular weight of 457.46 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
PubChem CID2543495
Molecular FormulaC21H19N3O7S
Molecular Weight457.46 g/mol
Exact Mass457.09
IUPAC NameN'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19N3O7S/c25-19(15-5-3-6-16(12-15)32(28,29)24-8-10-30-11-9-24)22-23-20(26)17-13-14-4-1-2-7-18(14)31-21(17)27/h1-7,12-13H,8-11H2,(H,22,25)(H,23,26)
InChIKeyXSPNXWXRBONENQ-UHFFFAOYSA-N
XLogP0.89
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide
CID 3927592
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2588973
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide (CID 2543495) is N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide?
The InChIKey is XSPNXWXRBONENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O7S/c25-19(15-5-3-6-16(12-15)32(28,29)24-8-10-30-11-9-24)22-23-20(26)17-13-14-4-1-2-7-18(14)31-21(17)27/h1-7,12-13H,8-11H2,(H,22,25)(H,23,26).
What are the key properties of N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide?
N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide has a molecular weight of 457.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 2543495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).