2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid

C16H17N3O5S — CID 90481227

IUPAC2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid
SMILESCOc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C16H17N3O5S/c1-19(11-16(20)21)25(22,23)15-10-13(8-9-14(15)24-2)18-17-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,21)/b18-17+
InChIKeyCHCQCFSGIFRSHK-ISLYRVAYSA-N
MW363.40 g/mol
LogP2.82
Rot. Bonds7

About 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid

2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid (PubChem CID 90481227) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid
PubChem CID90481227
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid
SMILESCOc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C16H17N3O5S/c1-19(11-16(20)21)25(22,23)15-10-13(8-9-14(15)24-2)18-17-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,21)/b18-17+
InChIKeyCHCQCFSGIFRSHK-ISLYRVAYSA-N
XLogP2.82
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid 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

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
4-methoxy-3-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215464
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760847
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
CID 120666197
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717
3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
CID 62335009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid (CID 90481227) is 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid is COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid?
The InChIKey is CHCQCFSGIFRSHK-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-19(11-16(20)21)25(22,23)15-10-13(8-9-14(15)24-2)18-17-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,21)/b18-17+.
What are the key properties of 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid?
2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid has a molecular weight of 363.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-phenyldiazenylphenyl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 90481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).