2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid

C10H12ClNO5S — CID 60934471

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
SMILESCCOc1ccc(NS(=O)(=O)CC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-2-17-9-4-3-7(5-8(9)11)12-18(15,16)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyZVSYWKRUTKZSHG-UHFFFAOYSA-N
MW293.73 g/mol
LogP1.57
Rot. Bonds6

About 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid

2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid (PubChem CID 60934471) has the molecular formula C10H12ClNO5S and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
PubChem CID60934471
Molecular FormulaC10H12ClNO5S
Molecular Weight293.73 g/mol
Exact Mass293.01
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
SMILESCCOc1ccc(NS(=O)(=O)CC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-2-17-9-4-3-7(5-8(9)11)12-18(15,16)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyZVSYWKRUTKZSHG-UHFFFAOYSA-N
XLogP1.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511
2-[(3-chloro-4-nitrophenyl)sulfamoyl]acetic acid
CID 82861521
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid (CID 60934471) is 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid is CCOc1ccc(NS(=O)(=O)CC(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid?
The InChIKey is ZVSYWKRUTKZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S/c1-2-17-9-4-3-7(5-8(9)11)12-18(15,16)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid?
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid has a molecular weight of 293.73 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60934471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).