4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide

C15H18FNO4S — CID 99872683

IUPAC4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)Cc1ccco1
InChIInChI=1S/C15H18FNO4S/c1-11-8-12(16)5-6-14(11)22(19,20)17-10-15(2,18)9-13-4-3-7-21-13/h3-8,17-18H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyGHLQSULOECDXML-OAHLLOKOSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds6

About 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide

4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (PubChem CID 99872683) has the molecular formula C15H18FNO4S and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
PubChem CID99872683
Molecular FormulaC15H18FNO4S
Molecular Weight327.38 g/mol
Exact Mass327.09
IUPAC Name4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)Cc1ccco1
InChIInChI=1S/C15H18FNO4S/c1-11-8-12(16)5-6-14(11)22(19,20)17-10-15(2,18)9-13-4-3-7-21-13/h3-8,17-18H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyGHLQSULOECDXML-OAHLLOKOSA-N
XLogP2.00
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 99873374
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (CID 99872683) is 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)Cc1ccco1.
What is the InChIKey of 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The InChIKey is GHLQSULOECDXML-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18FNO4S/c1-11-8-12(16)5-6-14(11)22(19,20)17-10-15(2,18)9-13-4-3-7-21-13/h3-8,17-18H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 99872683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).