4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide

C9H18F3NO3S2 — CID 103943209

IUPAC4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S2/c1-7(8(6-14)17-2)13-18(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyOYGSBSSKQQYZGC-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.36
Rot. Bonds8

About 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide

4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide (PubChem CID 103943209) has the molecular formula C9H18F3NO3S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide
PubChem CID103943209
Molecular FormulaC9H18F3NO3S2
Molecular Weight309.38 g/mol
Exact Mass309.07
IUPAC Name4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S2/c1-7(8(6-14)17-2)13-18(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyOYGSBSSKQQYZGC-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(1-hydroxybutan-2-yl)butane-1-sulfonamide
CID 83059092
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butane-1-sulfonamide
CID 83188244
1,1-difluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 103912545
4,4,4-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]butane-1-sulfonamide
CID 103943156
4,4,4-trifluoro-N-[(2R)-1-hydroxybutan-2-yl]butane-1-sulfonamide
CID 103943326
4,4,4-trifluoro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 104109386
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide
CID 104858743
4,4,4-trifluoro-N-[(2S)-1-hydroxybutan-2-yl]butane-1-sulfonamide
CID 104981943
4-hydroxy-N-(4,4,4-trifluorobutan-2-yl)butane-1-sulfonamide
CID 105946537
1,1,1-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106157474
4-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]butane-1-sulfonamide
CID 106433683
1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide
CID 106433684

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide (CID 103943209) is 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide is CSC(CO)C(C)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The InChIKey is OYGSBSSKQQYZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S2/c1-7(8(6-14)17-2)13-18(15,16)5-3-4-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide has a molecular weight of 309.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 103943209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).