3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide

C16H16ClN3O6S — CID 7978237

IUPAC3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O6S/c1-25-13-7-6-10(27(18,23)24)8-11(13)16(22)20-19-15(21)9-26-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyMEJFEAVKNDWIGW-UHFFFAOYSA-N
MW413.84 g/mol
LogP0.84
Rot. Bonds6

About 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide

3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide (PubChem CID 7978237) has the molecular formula C16H16ClN3O6S and a molecular weight of 413.84 g/mol. Its IUPAC name is 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
PubChem CID7978237
Molecular FormulaC16H16ClN3O6S
Molecular Weight413.84 g/mol
Exact Mass413.04
IUPAC Name3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O6S/c1-25-13-7-6-10(27(18,23)24)8-11(13)16(22)20-19-15(21)9-26-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyMEJFEAVKNDWIGW-UHFFFAOYSA-N
XLogP0.84
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 9470201
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468025
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601129
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25494157
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide (CID 7978237) is 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide?
The InChIKey is MEJFEAVKNDWIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O6S/c1-25-13-7-6-10(27(18,23)24)8-11(13)16(22)20-19-15(21)9-26-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide?
3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide has a molecular weight of 413.84 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7978237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).