methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate

C12H11NO5S2 — CID 108783728

IUPACmethyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1O
InChIInChI=1S/C12H11NO5S2/c1-18-12(15)8-4-2-5-9(11(8)14)13-20(16,17)10-6-3-7-19-10/h2-7,13-14H,1H3
InChIKeyGCBKNZAYVYXBMN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate

methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 108783728) has the molecular formula C12H11NO5S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID108783728
Molecular FormulaC12H11NO5S2
Molecular Weight313.36 g/mol
Exact Mass313.01
IUPAC Namemethyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1O
InChIInChI=1S/C12H11NO5S2/c1-18-12(15)8-4-2-5-9(11(8)14)13-20(16,17)10-6-3-7-19-10/h2-7,13-14H,1H3
InChIKeyGCBKNZAYVYXBMN-UHFFFAOYSA-N
XLogP2.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
methyl 2-hydroxy-3-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]benzoate
CID 56543247
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate (CID 108783728) is methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate is COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is GCBKNZAYVYXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S2/c1-18-12(15)8-4-2-5-9(11(8)14)13-20(16,17)10-6-3-7-19-10/h2-7,13-14H,1H3.
What are the key properties of methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate?
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 313.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 108783728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).