N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide

C9H13F2NO3S2 — CID 104858887

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)(F)CO)c(C)s1
InChIInChI=1S/C9H13F2NO3S2/c1-6-3-8(7(2)16-6)17(14,15)12-4-9(10,11)5-13/h3,12-13H,4-5H2,1-2H3
InChIKeyCPYGRTAOVMCPKI-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.27
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 104858887) has the molecular formula C9H13F2NO3S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID104858887
Molecular FormulaC9H13F2NO3S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)(F)CO)c(C)s1
InChIInChI=1S/C9H13F2NO3S2/c1-6-3-8(7(2)16-6)17(14,15)12-4-9(10,11)5-13/h3,12-13H,4-5H2,1-2H3
InChIKeyCPYGRTAOVMCPKI-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide (CID 104858887) is N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(F)(F)CO)c(C)s1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is CPYGRTAOVMCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3S2/c1-6-3-8(7(2)16-6)17(14,15)12-4-9(10,11)5-13/h3,12-13H,4-5H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 104858887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).