4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide

C15H17F3N2O4S — CID 133353067

IUPAC4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(C)(O)CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)o1
InChIInChI=1S/C15H17F3N2O4S/c1-9-3-6-13(24-9)14(2,21)8-20-12-5-4-10(25(19,22)23)7-11(12)15(16,17)18/h3-7,20-21H,8H2,1-2H3,(H2,19,22,23)
InChIKeyJMKOANPULISHFT-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.57
Rot. Bonds5

About 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide

4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 133353067) has the molecular formula C15H17F3N2O4S and a molecular weight of 378.37 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID133353067
Molecular FormulaC15H17F3N2O4S
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(C)(O)CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)o1
InChIInChI=1S/C15H17F3N2O4S/c1-9-3-6-13(24-9)14(2,21)8-20-12-5-4-10(25(19,22)23)7-11(12)15(16,17)18/h3-7,20-21H,8H2,1-2H3,(H2,19,22,23)
InChIKeyJMKOANPULISHFT-UHFFFAOYSA-N
XLogP2.57
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzenesulfonamide
CID 133353072
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
CID 133353126
N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 133290817
4-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133346742
4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133291403
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
4-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133316807
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353147
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide (CID 133353067) is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C(C)(O)CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)o1.
What is the InChIKey of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JMKOANPULISHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4S/c1-9-3-6-13(24-9)14(2,21)8-20-12-5-4-10(25(19,22)23)7-11(12)15(16,17)18/h3-7,20-21H,8H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide?
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 378.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133353067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).