methyl 2-(benzenesulfonamido)thiophene-3-carboxylate

C12H11NO4S2 — CID 1477337

IUPACmethyl 2-(benzenesulfonamido)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO4S2/c1-17-12(14)10-7-8-18-11(10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyNTCOWKHOCGGHHC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-(benzenesulfonamido)thiophene-3-carboxylate

methyl 2-(benzenesulfonamido)thiophene-3-carboxylate (PubChem CID 1477337) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 2-(benzenesulfonamido)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzenesulfonamido)thiophene-3-carboxylate
PubChem CID1477337
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Namemethyl 2-(benzenesulfonamido)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO4S2/c1-17-12(14)10-7-8-18-11(10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyNTCOWKHOCGGHHC-UHFFFAOYSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzenesulfonamido)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(benzenesulfonamido)thiophene-3-carboxylate (CID 1477337) is methyl 2-(benzenesulfonamido)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(benzenesulfonamido)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(benzenesulfonamido)thiophene-3-carboxylate is COC(=O)c1ccsc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-(benzenesulfonamido)thiophene-3-carboxylate?
The InChIKey is NTCOWKHOCGGHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-17-12(14)10-7-8-18-11(10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3.
What are the key properties of methyl 2-(benzenesulfonamido)thiophene-3-carboxylate?
methyl 2-(benzenesulfonamido)thiophene-3-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzenesulfonamido)thiophene-3-carboxylate is sourced from PubChem (CID 1477337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).