N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

C9H13F2NO3S2 — CID 102750250

IUPACN-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C9H13F2NO3S2/c1-6-5-16-7(4-13)9(6)17(14,15)12(2)3-8(10)11/h5,8,13H,3-4H2,1-2H3
InChIKeyNXGKCKIVKLKQQR-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.43
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102750250) has the molecular formula C9H13F2NO3S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102750250
Molecular FormulaC9H13F2NO3S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC NameN-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C9H13F2NO3S2/c1-6-5-16-7(4-13)9(6)17(14,15)12(2)3-8(10)11/h5,8,13H,3-4H2,1-2H3
InChIKeyNXGKCKIVKLKQQR-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (CID 102750250) is N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is NXGKCKIVKLKQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3S2/c1-6-5-16-7(4-13)9(6)17(14,15)12(2)3-8(10)11/h5,8,13H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102750250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).