4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

C12H11NO5S2 — CID 78970982

IUPAC4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO5S2/c1-18-8-4-5-9(12(14)15)10(7-8)13-20(16,17)11-3-2-6-19-11/h2-7,13H,1H3,(H,14,15)
InChIKeyLSJGUFFGGNWFKA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.26
Rot. Bonds5

About 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 78970982) has the molecular formula C12H11NO5S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID78970982
Molecular FormulaC12H11NO5S2
Molecular Weight313.36 g/mol
Exact Mass313.01
IUPAC Name4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO5S2/c1-18-8-4-5-9(12(14)15)10(7-8)13-20(16,17)11-3-2-6-19-11/h2-7,13H,1H3,(H,14,15)
InChIKeyLSJGUFFGGNWFKA-UHFFFAOYSA-N
XLogP2.26
TPSA92.70 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Bromo-2-thienyl)sulfonylamino]-4-phenoxy-benzoic acid
CID 71602898
5-[[3-(Difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56795854
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(4-methylphenoxy)benzoic acid
CID 72725002
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(3-methylphenoxy)benzoic acid
CID 72725003
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(2-methylphenoxy)benzoic acid
CID 72725004
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(3-carboxyphenoxy)benzoic acid
CID 72725058
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(4-carboxyphenoxy)benzoic acid
CID 72725059
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 72725060
Methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2809480
5-[(3-Propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
2-[(5-Ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 47062778
5-[(3-Ethoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 53536645

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (CID 78970982) is 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is COc1ccc(C(=O)O)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is LSJGUFFGGNWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S2/c1-18-8-4-5-9(12(14)15)10(7-8)13-20(16,17)11-3-2-6-19-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 78970982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).