2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid

C12H11NO5S2 — CID 60828163

IUPAC2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccc(O)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11NO5S2/c14-10-5-3-9(4-6-10)13(8-11(15)16)20(17,18)12-2-1-7-19-12/h1-7,14H,8H2,(H,15,16)
InChIKeySJQOQPXYCPEZTM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid

2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid (PubChem CID 60828163) has the molecular formula C12H11NO5S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
PubChem CID60828163
Molecular FormulaC12H11NO5S2
Molecular Weight313.36 g/mol
Exact Mass313.01
IUPAC Name2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccc(O)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11NO5S2/c14-10-5-3-9(4-6-10)13(8-11(15)16)20(17,18)12-2-1-7-19-12/h1-7,14H,8H2,(H,15,16)
InChIKeySJQOQPXYCPEZTM-UHFFFAOYSA-N
XLogP1.73
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 47004366
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid (CID 60828163) is 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid is O=C(O)CN(c1ccc(O)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid?
The InChIKey is SJQOQPXYCPEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S2/c14-10-5-3-9(4-6-10)13(8-11(15)16)20(17,18)12-2-1-7-19-12/h1-7,14H,8H2,(H,15,16).
What are the key properties of 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid?
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid has a molecular weight of 313.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 60828163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).