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

C8H11F2NO3S2 — CID 86795005

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H11F2NO3S2/c1-6-2-3-7(15-6)16(13,14)11-4-8(9,10)5-12/h2-3,11-12H,4-5H2,1H3
InChIKeyXSQDXSVNHCXAGU-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.96
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide (PubChem CID 86795005) has the molecular formula C8H11F2NO3S2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide
PubChem CID86795005
Molecular FormulaC8H11F2NO3S2
Molecular Weight271.31 g/mol
Exact Mass271.01
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H11F2NO3S2/c1-6-2-3-7(15-6)16(13,14)11-4-8(9,10)5-12/h2-3,11-12H,4-5H2,1H3
InChIKeyXSQDXSVNHCXAGU-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide (CID 86795005) is N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(F)(F)CO)s1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is XSQDXSVNHCXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3S2/c1-6-2-3-7(15-6)16(13,14)11-4-8(9,10)5-12/h2-3,11-12H,4-5H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 271.31 g/mol, XLogP of 0.96, 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)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 86795005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).