5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide

C9H13BrN2O3S2 — CID 167975051

IUPAC5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-3-12(4-2)9(13)6-5-7(8(10)16-6)17(11,14)15/h5H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyNQBSYVNVFWKPJK-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.64
Rot. Bonds4

About 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide

5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 167975051) has the molecular formula C9H13BrN2O3S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID167975051
Molecular FormulaC9H13BrN2O3S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-3-12(4-2)9(13)6-5-7(8(10)16-6)17(11,14)15/h5H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyNQBSYVNVFWKPJK-UHFFFAOYSA-N
XLogP1.64
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide (CID 167975051) is 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide is CCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)s1.
What is the InChIKey of 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is NQBSYVNVFWKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S2/c1-3-12(4-2)9(13)6-5-7(8(10)16-6)17(11,14)15/h5H,3-4H2,1-2H3,(H2,11,14,15).
What are the key properties of 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide?
5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 167975051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).