N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide

C14H14F3NO4S — CID 95983765

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H14F3NO4S/c1-13(19,12-3-2-8-22-12)9-18-23(20,21)11-6-4-10(5-7-11)14(15,16)17/h2-8,18-19H,9H2,1H3/t13-/m1/s1
InChIKeyCLZIOLCYFVOKPY-CYBMUJFWSA-N
MW349.33 g/mol
LogP2.48
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 95983765) has the molecular formula C14H14F3NO4S and a molecular weight of 349.33 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID95983765
Molecular FormulaC14H14F3NO4S
Molecular Weight349.33 g/mol
Exact Mass349.06
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H14F3NO4S/c1-13(19,12-3-2-8-22-12)9-18-23(20,21)11-6-4-10(5-7-11)14(15,16)17/h2-8,18-19H,9H2,1H3/t13-/m1/s1
InChIKeyCLZIOLCYFVOKPY-CYBMUJFWSA-N
XLogP2.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085993
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100689408
1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 71796929
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
CID 97069680

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide (CID 95983765) is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide is C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CLZIOLCYFVOKPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14F3NO4S/c1-13(19,12-3-2-8-22-12)9-18-23(20,21)11-6-4-10(5-7-11)14(15,16)17/h2-8,18-19H,9H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 95983765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).