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

C14H16FNO4S — CID 90605118

IUPAC3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C14H16FNO4S/c1-14(17,9-12-5-3-7-20-12)10-16-21(18,19)13-6-2-4-11(15)8-13/h2-8,16-17H,9-10H2,1H3
InChIKeyBJNCBVXIUMCVRN-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.69
Rot. Bonds6

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

3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide (PubChem CID 90605118) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
PubChem CID90605118
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C14H16FNO4S/c1-14(17,9-12-5-3-7-20-12)10-16-21(18,19)13-6-2-4-11(15)8-13/h2-8,16-17H,9-10H2,1H3
InChIKeyBJNCBVXIUMCVRN-UHFFFAOYSA-N
XLogP1.69
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703
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
N-(4-bromo-2,2-dimethylbutyl)-3-fluorobenzenesulfonamide
CID 114149778
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
3-fluoro-N-propylbenzenesulfonamide
CID 43212857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide (CID 90605118) is 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide is CC(O)(CNS(=O)(=O)c1cccc(F)c1)Cc1ccco1.
What is the InChIKey of 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The InChIKey is BJNCBVXIUMCVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-14(17,9-12-5-3-7-20-12)10-16-21(18,19)13-6-2-4-11(15)8-13/h2-8,16-17H,9-10H2,1H3.
What are the key properties of 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 90605118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).