ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate

C12H11ClN2O4S2 — CID 61053004

IUPACethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O4S2/c1-2-19-12(16)9-5-6-20-11(9)15-21(17,18)8-3-4-10(13)14-7-8/h3-7,15H,2H2,1H3
InChIKeyGFDMDKYHLIXYIC-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.77
Rot. Bonds5

About ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate

ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 61053004) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate
PubChem CID61053004
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Nameethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H11ClN2O4S2/c1-2-19-12(16)9-5-6-20-11(9)15-21(17,18)8-3-4-10(13)14-7-8/h3-7,15H,2H2,1H3
InChIKeyGFDMDKYHLIXYIC-UHFFFAOYSA-N
XLogP2.77
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
ethyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 24571816
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
methyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 60639366
ethyl 2-arsanylthiophene-3-carboxylate
CID 173196725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate (CID 61053004) is ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is GFDMDKYHLIXYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-2-19-12(16)9-5-6-20-11(9)15-21(17,18)8-3-4-10(13)14-7-8/h3-7,15H,2H2,1H3.
What are the key properties of ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate?
ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 346.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 61053004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).