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

C9H12BrNO3S2 — CID 55137352

IUPAC5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO3S2/c10-8-1-2-9(15-8)16(12,13)11-7-3-5-14-6-4-7/h1-2,7,11H,3-6H2
InChIKeyQDJSLVDKRDZQCO-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.97
Rot. Bonds3

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

5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 55137352) has the molecular formula C9H12BrNO3S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID55137352
Molecular FormulaC9H12BrNO3S2
Molecular Weight326.24 g/mol
Exact Mass324.94
IUPAC Name5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO3S2/c10-8-1-2-9(15-8)16(12,13)11-7-3-5-14-6-4-7/h1-2,7,11H,3-6H2
InChIKeyQDJSLVDKRDZQCO-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-oxolanylmethyl)-2-thiophenesulfonamide
CID 2948489
5-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554926
5-bromo-N-butan-2-ylthiophene-2-sulfonamide
CID 2942952
5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 19681765
5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide
CID 22500719
5-bromo-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide
CID 47320387
5-Bromo-N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-2-thiophenesulfonamide
CID 59406178
5-bromo-N-(5-hydroxypentyl)thiophene-2-sulfonamide
CID 69953752
N-[2-amino-3-(oxan-4-yl)propyl]-5-bromothiophene-2-sulfonamide
CID 123165386
N-[(2S)-2-amino-3-(oxan-4-yl)propyl]-5-bromothiophene-2-sulfonamide
CID 144337542
5-bromo-N-[(oxolan-2-yl)methyl]thiophene-2-sulfonamide
CID 773373
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide
CID 773375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 55137352) is 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is QDJSLVDKRDZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S2/c10-8-1-2-9(15-8)16(12,13)11-7-3-5-14-6-4-7/h1-2,7,11H,3-6H2.
What are the key properties of 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide?
5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 326.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 55137352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).