2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide

C8H9ClN2O4S — CID 15029588

IUPAC2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCl)c1O
InChIInChI=1S/C8H9ClN2O4S/c9-4-7(12)11-5-2-1-3-6(8(5)13)16(10,14)15/h1-3,13H,4H2,(H,11,12)(H2,10,14,15)
InChIKeyNDBAJZSQKMGDOB-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.22
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide

2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide (PubChem CID 15029588) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide
PubChem CID15029588
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCl)c1O
InChIInChI=1S/C8H9ClN2O4S/c9-4-7(12)11-5-2-1-3-6(8(5)13)16(10,14)15/h1-3,13H,4H2,(H,11,12)(H2,10,14,15)
InChIKeyNDBAJZSQKMGDOB-UHFFFAOYSA-N
XLogP0.22
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-[(2-chloroacetyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 154373484
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
3-amino-N-(2,3-dihydroxyphenyl)propanamide
CID 91188626
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
N-(2-sulfamoylphenyl)-2-thiophen-3-ylacetamide
CID 61129954
2-[(2-chloroacetyl)amino]-5-[[4-[(2-chloroacetyl)amino]-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 71403677
ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide (CID 15029588) is 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CCl)c1O.
What is the InChIKey of 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide?
The InChIKey is NDBAJZSQKMGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c9-4-7(12)11-5-2-1-3-6(8(5)13)16(10,14)15/h1-3,13H,4H2,(H,11,12)(H2,10,14,15).
What are the key properties of 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide?
2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide has a molecular weight of 264.69 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 15029588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).