2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

C20H21ClN4O6S — CID 2078880

IUPAC2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21ClN4O6S/c21-17-7-2-1-6-16(17)20(28)22-13-18(26)23-24-19(27)14-4-3-5-15(12-14)32(29,30)25-8-10-31-11-9-25/h1-7,12H,8-11,13H2,(H,22,28)(H,23,26)(H,24,27)
InChIKeyHFXATAMVZOAXQV-UHFFFAOYSA-N
MW480.93 g/mol
LogP0.55
Rot. Bonds6

About 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 2078880) has the molecular formula C20H21ClN4O6S and a molecular weight of 480.93 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID2078880
Molecular FormulaC20H21ClN4O6S
Molecular Weight480.93 g/mol
Exact Mass480.09
IUPAC Name2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21ClN4O6S/c21-17-7-2-1-6-16(17)20(28)22-13-18(26)23-24-19(27)14-4-3-5-15(12-14)32(29,30)25-8-10-31-11-9-25/h1-7,12H,8-11,13H2,(H,22,28)(H,23,26)(H,24,27)
InChIKeyHFXATAMVZOAXQV-UHFFFAOYSA-N
XLogP0.55
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 50.55
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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Related Compounds

1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
3-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 2578784
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 2078880) is 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is HFXATAMVZOAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O6S/c21-17-7-2-1-6-16(17)20(28)22-13-18(26)23-24-19(27)14-4-3-5-15(12-14)32(29,30)25-8-10-31-11-9-25/h1-7,12H,8-11,13H2,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 480.93 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 2078880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).