3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide

C7H10FNO3S2 — CID 137459115

IUPAC3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C7H10FNO3S2/c1-7(2,10)5-3-4(8)6(13-5)14(9,11)12/h3,10H,1-2H3,(H2,9,11,12)
InChIKeySAYBEZSGJWLEKC-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.76
Rot. Bonds2

About 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide

3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide (PubChem CID 137459115) has the molecular formula C7H10FNO3S2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
PubChem CID137459115
Molecular FormulaC7H10FNO3S2
Molecular Weight239.29 g/mol
Exact Mass239.01
IUPAC Name3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C7H10FNO3S2/c1-7(2,10)5-3-4(8)6(13-5)14(9,11)12/h3,10H,1-2H3,(H2,9,11,12)
InChIKeySAYBEZSGJWLEKC-UHFFFAOYSA-N
XLogP0.76
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide (CID 137459115) is 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide is CC(C)(O)c1cc(F)c(S(N)(=O)=O)s1.
What is the InChIKey of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SAYBEZSGJWLEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3S2/c1-7(2,10)5-3-4(8)6(13-5)14(9,11)12/h3,10H,1-2H3,(H2,9,11,12).
What are the key properties of 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 239.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 137459115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).