N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide

C8H11F2NO3S2 — CID 115409009

IUPACN-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)F)sc1CO
InChIInChI=1S/C8H11F2NO3S2/c1-5-2-8(15-6(5)4-12)16(13,14)11-3-7(9)10/h2,7,11-12H,3-4H2,1H3
InChIKeyYBHCENBKAAJXCQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.09
Rot. Bonds5

About N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide

N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 115409009) has the molecular formula C8H11F2NO3S2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
PubChem CID115409009
Molecular FormulaC8H11F2NO3S2
Molecular Weight271.31 g/mol
Exact Mass271.01
IUPAC NameN-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)F)sc1CO
InChIInChI=1S/C8H11F2NO3S2/c1-5-2-8(15-6(5)4-12)16(13,14)11-3-7(9)10/h2,7,11-12H,3-4H2,1H3
InChIKeyYBHCENBKAAJXCQ-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114135437
5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106022534
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283893

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide (CID 115409009) is N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(F)F)sc1CO.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is YBHCENBKAAJXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3S2/c1-5-2-8(15-6(5)4-12)16(13,14)11-3-7(9)10/h2,7,11-12H,3-4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 271.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 115409009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).