5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 79931227

IUPAC5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)sc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-7-6-9(16-10(7)11)17(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyZWMGHWPBOVUAIW-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 79931227) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID79931227
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)sc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-7-6-9(16-10(7)11)17(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyZWMGHWPBOVUAIW-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 79931227) is 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCOCC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is ZWMGHWPBOVUAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-7-6-9(16-10(7)11)17(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 79931227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).