N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide

C12H15FN2O2S — CID 8778267

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
SMILESCC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,1-3H3/t12-/m1/s1
InChIKeyNXWLXRYLTRKEFJ-GFCCVEGCSA-N
MW270.33 g/mol
LogP2.04
Rot. Bonds4

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 8778267) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID8778267
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
SMILESCC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,1-3H3/t12-/m1/s1
InChIKeyNXWLXRYLTRKEFJ-GFCCVEGCSA-N
XLogP2.04
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
CID 8794976
4-chloro-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8794996
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8894009
3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8795010
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide (CID 8778267) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide is CC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is NXWLXRYLTRKEFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,1-3H3/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 8778267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).