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

C8H10BrF2NO3S2 — CID 113318784

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

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

5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide (PubChem CID 113318784) has the molecular formula C8H10BrF2NO3S2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
PubChem CID113318784
Molecular FormulaC8H10BrF2NO3S2
Molecular Weight350.21 g/mol
Exact Mass348.93
IUPAC Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C8H10BrF2NO3S2/c1-4-6(2-7(9)16-4)17(14,15)12-3-5(13)8(10)11/h2,5,8,12-13H,3H2,1H3
InChIKeyIJWSJMGSZCUGAY-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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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
CID 114295520
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide (CID 113318784) is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is IJWSJMGSZCUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO3S2/c1-4-6(2-7(9)16-4)17(14,15)12-3-5(13)8(10)11/h2,5,8,12-13H,3H2,1H3.
What are the key properties of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 113318784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).