2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid

C12H14ClNO7S — CID 122068063

IUPAC2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)C(=O)O)c1OC
InChIInChI=1S/C12H14ClNO7S/c1-6(11(15)16)14-22(18,19)9-5-7(13)4-8(10(9)20-2)12(17)21-3/h4-6,14H,1-3H3,(H,15,16)
InChIKeyZKEJCGUZJZUOBM-UHFFFAOYSA-N
MW351.76 g/mol
LogP0.89
Rot. Bonds6

About 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid

2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid (PubChem CID 122068063) has the molecular formula C12H14ClNO7S and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
PubChem CID122068063
Molecular FormulaC12H14ClNO7S
Molecular Weight351.76 g/mol
Exact Mass351.02
IUPAC Name2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)C(=O)O)c1OC
InChIInChI=1S/C12H14ClNO7S/c1-6(11(15)16)14-22(18,19)9-5-7(13)4-8(10(9)20-2)12(17)21-3/h4-6,14H,1-3H3,(H,15,16)
InChIKeyZKEJCGUZJZUOBM-UHFFFAOYSA-N
XLogP0.89
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic 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

(2R)-2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 120968760
3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid
CID 43545481
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43510582
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
2,5-dichloro-3-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827579
pentan-2-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102988512

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid (CID 122068063) is 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid is COC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)C(=O)O)c1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid?
The InChIKey is ZKEJCGUZJZUOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO7S/c1-6(11(15)16)14-22(18,19)9-5-7(13)4-8(10(9)20-2)12(17)21-3/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid?
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid has a molecular weight of 351.76 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122068063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).