2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

C22H18ClN3O6S — CID 2390321

IUPAC2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClN3O6S/c23-17-7-4-8-18(12-17)26-33(30,31)19-9-3-6-15(11-19)22(29)25-24-13-16-5-1-2-10-20(16)32-14-21(27)28/h1-13,26H,14H2,(H,25,29)(H,27,28)
InChIKeyONCTYOSVZJYSGN-UHFFFAOYSA-N
MW487.92 g/mol
LogP3.37
Rot. Bonds9

About 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 2390321) has the molecular formula C22H18ClN3O6S and a molecular weight of 487.92 g/mol. Its IUPAC name is 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID2390321
Molecular FormulaC22H18ClN3O6S
Molecular Weight487.92 g/mol
Exact Mass487.06
IUPAC Name2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClN3O6S/c23-17-7-4-8-18(12-17)26-33(30,31)19-9-3-6-15(11-19)22(29)25-24-13-16-5-1-2-10-20(16)32-14-21(27)28/h1-13,26H,14H2,(H,25,29)(H,27,28)
InChIKeyONCTYOSVZJYSGN-UHFFFAOYSA-N
XLogP3.37
TPSA134.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2325253
N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 2435500
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 45055049
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 2390321) is 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is ONCTYOSVZJYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O6S/c23-17-7-4-8-18(12-17)26-33(30,31)19-9-3-6-15(11-19)22(29)25-24-13-16-5-1-2-10-20(16)32-14-21(27)28/h1-13,26H,14H2,(H,25,29)(H,27,28).
What are the key properties of 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 487.92 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 2390321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).