N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide

C15H16F3NO4S — CID 90605173

IUPACN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccco1
InChIInChI=1S/C15H16F3NO4S/c1-14(20,9-12-3-2-8-23-12)10-19-24(21,22)13-6-4-11(5-7-13)15(16,17)18/h2-8,19-20H,9-10H2,1H3
InChIKeyKQMWKWWKEBKNMA-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.57
Rot. Bonds6

About N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90605173) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90605173
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccco1
InChIInChI=1S/C15H16F3NO4S/c1-14(20,9-12-3-2-8-23-12)10-19-24(21,22)13-6-4-11(5-7-13)15(16,17)18/h2-8,19-20H,9-10H2,1H3
InChIKeyKQMWKWWKEBKNMA-UHFFFAOYSA-N
XLogP2.57
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90605173) is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KQMWKWWKEBKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c1-14(20,9-12-3-2-8-23-12)10-19-24(21,22)13-6-4-11(5-7-13)15(16,17)18/h2-8,19-20H,9-10H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 363.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90605173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).