5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide

C9H12BrNO3S2 — CID 773375

IUPAC5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO3S2/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyYMSHOOSWNDOXNW-ZETCQYMHSA-N
MW326.24 g/mol
LogP1.97
Rot. Bonds4

About 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide

5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 773375) has the molecular formula C9H12BrNO3S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID773375
Molecular FormulaC9H12BrNO3S2
Molecular Weight326.24 g/mol
Exact Mass324.94
IUPAC Name5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO3S2/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyYMSHOOSWNDOXNW-ZETCQYMHSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide (CID 773375) is 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is YMSHOOSWNDOXNW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrNO3S2/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 326.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 773375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).