2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid

C14H14ClNO4S2 — CID 23645786

IUPAC2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO4S2/c1-10(14(17)18)16(9-11-5-2-3-6-12(11)15)22(19,20)13-7-4-8-21-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyKATQMYKRQKBYTN-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid

2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid (PubChem CID 23645786) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid
PubChem CID23645786
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Name2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO4S2/c1-10(14(17)18)16(9-11-5-2-3-6-12(11)15)22(19,20)13-7-4-8-21-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyKATQMYKRQKBYTN-UHFFFAOYSA-N
XLogP3.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid (CID 23645786) is 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid?
The InChIKey is KATQMYKRQKBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-10(14(17)18)16(9-11-5-2-3-6-12(11)15)22(19,20)13-7-4-8-21-13/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid?
2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid has a molecular weight of 359.86 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid is sourced from PubChem (CID 23645786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).