2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid

C24H18ClN3O6S2 — CID 171133764

IUPAC2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H18ClN3O6S2/c25-21-11-12-23(35-21)36(32,33)28-19-8-4-3-7-17(19)24(31)27-26-13-18-16-6-2-1-5-15(16)9-10-20(18)34-14-22(29)30/h1-13,28H,14H2,(H,27,31)(H,29,30)
InChIKeyBVYAZVSPNSXUAY-UHFFFAOYSA-N
MW544.01 g/mol
LogP4.58
Rot. Bonds9

About 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid

2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 171133764) has the molecular formula C24H18ClN3O6S2 and a molecular weight of 544.01 g/mol. Its IUPAC name is 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid
PubChem CID171133764
Molecular FormulaC24H18ClN3O6S2
Molecular Weight544.01 g/mol
Exact Mass543.03
IUPAC Name2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H18ClN3O6S2/c25-21-11-12-23(35-21)36(32,33)28-19-8-4-3-7-17(19)24(31)27-26-13-18-16-6-2-1-5-15(16)9-10-20(18)34-14-22(29)30/h1-13,28H,14H2,(H,27,31)(H,29,30)
InChIKeyBVYAZVSPNSXUAY-UHFFFAOYSA-N
XLogP4.58
TPSA134.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.01
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid with MolForge

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Related Compounds

2-[1-[(Z)-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]-5-methylbenzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid
CID 172923703
[1-[[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3331599
2-[2-[[[5-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-5-methoxyphenoxy]acetic acid
CID 171133835
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135683070
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
2-amino-N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 21370937
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
2-[4-methyl-2-[[[5-methyl-2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 171133765
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid (CID 171133764) is 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is BVYAZVSPNSXUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O6S2/c25-21-11-12-23(35-21)36(32,33)28-19-8-4-3-7-17(19)24(31)27-26-13-18-16-6-2-1-5-15(16)9-10-20(18)34-14-22(29)30/h1-13,28H,14H2,(H,27,31)(H,29,30).
What are the key properties of 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid?
2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 544.01 g/mol, XLogP of 4.58, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 171133764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).