N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide

C12H14F2N2O2S — CID 8794976

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
SMILESCC(C)[C@](C)(C#N)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-9(13)5-4-6-10(11)14/h4-6,8,16H,1-3H3/t12-/m0/s1
InChIKeyORWUPSDIAPTPBP-LBPRGKRZSA-N
MW288.32 g/mol
LogP2.18
Rot. Bonds4

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 8794976) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
PubChem CID8794976
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
SMILESCC(C)[C@](C)(C#N)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-9(13)5-4-6-10(11)14/h4-6,8,16H,1-3H3/t12-/m0/s1
InChIKeyORWUPSDIAPTPBP-LBPRGKRZSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8778267
3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8795010
4-chloro-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8794996
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-bromo-N-[(1S)-1-cyanoethyl]-6-fluorobenzenesulfonamide
CID 97243590
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
CID 3710669
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8894009
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide (CID 8794976) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide is CC(C)[C@](C)(C#N)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is ORWUPSDIAPTPBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-9(13)5-4-6-10(11)14/h4-6,8,16H,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 288.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 8794976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).