2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C19H22ClN3O6S — CID 55350760

IUPAC2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O6S/c1-2-28-15-8-4-5-9-16(15)29-13-19(25)23-22-18(24)11-12-21-30(26,27)17-10-6-3-7-14(17)20/h3-10,21H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUUJPWYBEPMXIIH-UHFFFAOYSA-N
MW455.92 g/mol
LogP1.63
Rot. Bonds10

About 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55350760) has the molecular formula C19H22ClN3O6S and a molecular weight of 455.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID55350760
Molecular FormulaC19H22ClN3O6S
Molecular Weight455.92 g/mol
Exact Mass455.09
IUPAC Name2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O6S/c1-2-28-15-8-4-5-9-16(15)29-13-19(25)23-22-18(24)11-12-21-30(26,27)17-10-6-3-7-14(17)20/h3-10,21H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUUJPWYBEPMXIIH-UHFFFAOYSA-N
XLogP1.63
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 51.63
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

N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 7601132
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
CID 36858937
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
2-(2-ethoxyphenoxy)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 26251366
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978236

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 55350760) is 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is CCOc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is UUJPWYBEPMXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S/c1-2-28-15-8-4-5-9-16(15)29-13-19(25)23-22-18(24)11-12-21-30(26,27)17-10-6-3-7-14(17)20/h3-10,21H,2,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 455.92 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55350760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).