3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid

C11H15ClN2O5S — CID 107620926

IUPAC3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
SMILESCOc1cc(NS(=O)(=O)N(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C11H15ClN2O5S/c1-14(6-5-11(15)16)20(17,18)13-8-3-4-9(12)10(7-8)19-2/h3-4,7,13H,5-6H2,1-2H3,(H,15,16)
InChIKeyGKBBDGVTZZEUBP-UHFFFAOYSA-N
MW322.77 g/mol
LogP1.41
Rot. Bonds7

About 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid

3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid (PubChem CID 107620926) has the molecular formula C11H15ClN2O5S and a molecular weight of 322.77 g/mol. Its IUPAC name is 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
PubChem CID107620926
Molecular FormulaC11H15ClN2O5S
Molecular Weight322.77 g/mol
Exact Mass322.04
IUPAC Name3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
SMILESCOc1cc(NS(=O)(=O)N(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C11H15ClN2O5S/c1-14(6-5-11(15)16)20(17,18)13-8-3-4-9(12)10(7-8)19-2/h3-4,7,13H,5-6H2,1-2H3,(H,15,16)
InChIKeyGKBBDGVTZZEUBP-UHFFFAOYSA-N
XLogP1.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
CID 107624901
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 107622131
2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene
CID 166240379
3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
CID 103477657
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid (CID 107620926) is 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid is COc1cc(NS(=O)(=O)N(C)CCC(=O)O)ccc1Cl.
What is the InChIKey of 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is GKBBDGVTZZEUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S/c1-14(6-5-11(15)16)20(17,18)13-8-3-4-9(12)10(7-8)19-2/h3-4,7,13H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid?
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 322.77 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 107620926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).