2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide

C13H13NO5S2 — CID 47052035

IUPAC2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C13H13NO5S2/c1-18-9-5-6-10(11(8-9)19-2)13(15)14-21(16,17)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15)
InChIKeyFGJXQRLZNPPTNN-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.88
Rot. Bonds5

About 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide

2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide (PubChem CID 47052035) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide
PubChem CID47052035
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C13H13NO5S2/c1-18-9-5-6-10(11(8-9)19-2)13(15)14-21(16,17)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15)
InChIKeyFGJXQRLZNPPTNN-UHFFFAOYSA-N
XLogP1.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide?
The IUPAC name of 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide (CID 47052035) is 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide is COc1ccc(C(=O)NS(=O)(=O)c2cccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide?
The InChIKey is FGJXQRLZNPPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-18-9-5-6-10(11(8-9)19-2)13(15)14-21(16,17)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide?
2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-thiophen-2-ylsulfonylbenzamide is sourced from PubChem (CID 47052035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).