2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide

C14H13FN2O3S — CID 95781639

IUPAC2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
SMILESC[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H13FN2O3S/c1-10(13-6-4-8-20-13)17(2)21(18,19)14-7-3-5-12(15)11(14)9-16/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyPKGQFXOSQUQRJI-SNVBAGLBSA-N
MW308.33 g/mol
LogP2.67
Rot. Bonds4

About 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide

2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 95781639) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
PubChem CID95781639
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
SMILESC[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H13FN2O3S/c1-10(13-6-4-8-20-13)17(2)21(18,19)14-7-3-5-12(15)11(14)9-16/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyPKGQFXOSQUQRJI-SNVBAGLBSA-N
XLogP2.67
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-3-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
CID 95781638
2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 56806552
2-cyano-N-ethyl-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95781644
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
CID 10683774
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
2-cyano-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049476
2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
CID 71911254
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-fluorobenzonitrile
CID 103931359

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide (CID 95781639) is 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide is C[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is PKGQFXOSQUQRJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-10(13-6-4-8-20-13)17(2)21(18,19)14-7-3-5-12(15)11(14)9-16/h3-8,10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide?
2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 95781639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).