5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide

C8H10BrF2NO3S2 — CID 104858756

IUPAC5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H10BrF2NO3S2/c1-5-6(2-7(9)16-5)17(14,15)12-3-8(10,11)4-13/h2,12-13H,3-4H2,1H3
InChIKeyYXYMJCOIRVZAHE-UHFFFAOYSA-N
MW350.21 g/mol
LogP1.72
Rot. Bonds5

About 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide (PubChem CID 104858756) has the molecular formula C8H10BrF2NO3S2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide
PubChem CID104858756
Molecular FormulaC8H10BrF2NO3S2
Molecular Weight350.21 g/mol
Exact Mass348.93
IUPAC Name5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H10BrF2NO3S2/c1-5-6(2-7(9)16-5)17(14,15)12-3-8(10,11)4-13/h2,12-13H,3-4H2,1H3
InChIKeyYXYMJCOIRVZAHE-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide (CID 104858756) is 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YXYMJCOIRVZAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO3S2/c1-5-6(2-7(9)16-5)17(14,15)12-3-8(10,11)4-13/h2,12-13H,3-4H2,1H3.
What are the key properties of 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 350.21 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 104858756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).