5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide

C11H12BrNO3S2 — CID 34160726

IUPAC5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO3S2/c1-8(7-9-3-2-6-16-9)13-18(14,15)11-5-4-10(12)17-11/h2-6,8,13H,7H2,1H3/t8-/m1/s1
InChIKeyJNIYJGPZOUSMAB-MRVPVSSYSA-N
MW350.26 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide

5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 34160726) has the molecular formula C11H12BrNO3S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID34160726
Molecular FormulaC11H12BrNO3S2
Molecular Weight350.26 g/mol
Exact Mass348.94
IUPAC Name5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO3S2/c1-8(7-9-3-2-6-16-9)13-18(14,15)11-5-4-10(12)17-11/h2-6,8,13H,7H2,1H3/t8-/m1/s1
InChIKeyJNIYJGPZOUSMAB-MRVPVSSYSA-N
XLogP3.01
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide (CID 34160726) is 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide is C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is JNIYJGPZOUSMAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrNO3S2/c1-8(7-9-3-2-6-16-9)13-18(14,15)11-5-4-10(12)17-11/h2-6,8,13H,7H2,1H3/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 350.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-(furan-2-yl)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 34160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).