N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

C10H15F2NO4S2 — CID 106001546

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H15F2NO4S2/c1-7-6-18-8(4-14)10(7)19(15,16)13-2-3-17-5-9(11)12/h6,9,13-14H,2-5H2,1H3
InChIKeyXNABQNSLLVIDTN-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.11
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106001546) has the molecular formula C10H15F2NO4S2 and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106001546
Molecular FormulaC10H15F2NO4S2
Molecular Weight315.36 g/mol
Exact Mass315.04
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H15F2NO4S2/c1-7-6-18-8(4-14)10(7)19(15,16)13-2-3-17-5-9(11)12/h6,9,13-14H,2-5H2,1H3
InChIKeyXNABQNSLLVIDTN-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (CID 106001546) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is XNABQNSLLVIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4S2/c1-7-6-18-8(4-14)10(7)19(15,16)13-2-3-17-5-9(11)12/h6,9,13-14H,2-5H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106001546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).