5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide

C11H17F2NO3S2 — CID 136531965

IUPAC5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C11H17F2NO3S2/c1-10(2,3)8-4-5-9(18-8)19(16,17)14-6-11(12,13)7-15/h4-5,14-15H,6-7H2,1-3H3
InChIKeyGLNXLBUJOBUWSR-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.95
Rot. Bonds5

About 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide

5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide (PubChem CID 136531965) has the molecular formula C11H17F2NO3S2 and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
PubChem CID136531965
Molecular FormulaC11H17F2NO3S2
Molecular Weight313.39 g/mol
Exact Mass313.06
IUPAC Name5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C11H17F2NO3S2/c1-10(2,3)8-4-5-9(18-8)19(16,17)14-6-11(12,13)7-15/h4-5,14-15H,6-7H2,1-3H3
InChIKeyGLNXLBUJOBUWSR-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide (CID 136531965) is 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(F)(F)CO)s1.
What is the InChIKey of 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The InChIKey is GLNXLBUJOBUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3S2/c1-10(2,3)8-4-5-9(18-8)19(16,17)14-6-11(12,13)7-15/h4-5,14-15H,6-7H2,1-3H3.
What are the key properties of 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 136531965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).