5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

C9H12BrNO3S2 — CID 2948489

IUPAC5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)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
InChIKeyYMSHOOSWNDOXNW-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.97
Rot. Bonds4

About 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2948489) has the molecular formula C9H12BrNO3S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID2948489
Molecular FormulaC9H12BrNO3S2
Molecular Weight326.24 g/mol
Exact Mass324.94
IUPAC Name5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)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
InChIKeyYMSHOOSWNDOXNW-UHFFFAOYSA-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-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (CID 2948489) is 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YMSHOOSWNDOXNW-UHFFFAOYSA-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.
What are the key properties of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
5-bromo-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).