5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide

C9H12F3NO4S — CID 164632959

IUPAC5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO4S/c1-6-2-3-8(17-6)18(15,16)13-7(5-14)4-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyLNJIYWKDHUAZOI-ZETCQYMHSA-N
MW287.26 g/mol
LogP1.18
Rot. Bonds5

About 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide

5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide (PubChem CID 164632959) has the molecular formula C9H12F3NO4S and a molecular weight of 287.26 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide
PubChem CID164632959
Molecular FormulaC9H12F3NO4S
Molecular Weight287.26 g/mol
Exact Mass287.04
IUPAC Name5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO4S/c1-6-2-3-8(17-6)18(15,16)13-7(5-14)4-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyLNJIYWKDHUAZOI-ZETCQYMHSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide (CID 164632959) is 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)o1.
What is the InChIKey of 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide?
The InChIKey is LNJIYWKDHUAZOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F3NO4S/c1-6-2-3-8(17-6)18(15,16)13-7(5-14)4-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide?
5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide has a molecular weight of 287.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]furan-2-sulfonamide is sourced from PubChem (CID 164632959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).