methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate

C11H10N2O4S2 — CID 122157867

IUPACmethyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccsc2)cn1
InChIInChI=1S/C11H10N2O4S2/c1-17-11(14)10-3-2-8(6-12-10)13-19(15,16)9-4-5-18-7-9/h2-7,13H,1H3
InChIKeyRIHCQOAGUSRGLT-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.73
Rot. Bonds4

About methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate

methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate (PubChem CID 122157867) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate
PubChem CID122157867
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Namemethyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccsc2)cn1
InChIInChI=1S/C11H10N2O4S2/c1-17-11(14)10-3-2-8(6-12-10)13-19(15,16)9-4-5-18-7-9/h2-7,13H,1H3
InChIKeyRIHCQOAGUSRGLT-UHFFFAOYSA-N
XLogP1.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 86220695
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599
N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
CID 154859263
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)thiophene-3-sulfonamide
CID 126802053
methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
CID 15079356
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
3,4-dimethoxy-5-(thiophen-3-ylsulfonylamino)benzoic acid
CID 167759672
methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate
CID 100703324
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
CID 66802732

Frequently Asked Questions

What is the IUPAC name of methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate (CID 122157867) is methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate is COC(=O)c1ccc(NS(=O)(=O)c2ccsc2)cn1.
What is the InChIKey of methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate?
The InChIKey is RIHCQOAGUSRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-17-11(14)10-3-2-8(6-12-10)13-19(15,16)9-4-5-18-7-9/h2-7,13H,1H3.
What are the key properties of methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate?
methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate has a molecular weight of 298.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 122157867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).