2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide

C15H19FN2O3S — CID 146104418

IUPAC2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)C)Nc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-11(10-22(19,20)18(2)3)17-14-7-6-12(9-13(14)16)15-5-4-8-21-15/h4-9,11,17H,10H2,1-3H3
InChIKeyQCLHWAQUHSQHNY-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.78
Rot. Bonds6

About 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide

2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 146104418) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide
PubChem CID146104418
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)C)Nc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-11(10-22(19,20)18(2)3)17-14-7-6-12(9-13(14)16)15-5-4-8-21-15/h4-9,11,17H,10H2,1-3H3
InChIKeyQCLHWAQUHSQHNY-UHFFFAOYSA-N
XLogP2.78
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 71862931
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111475579
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 111475557
N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide
CID 166242943
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99856240
2-fluoro-5-(furan-2-yl)-N-methylbenzamide
CID 168525507
N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide
CID 146104423

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide (CID 146104418) is 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)C)Nc1ccc(-c2ccco2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is QCLHWAQUHSQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-11(10-22(19,20)18(2)3)17-14-7-6-12(9-13(14)16)15-5-4-8-21-15/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide?
2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 326.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 146104418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).