N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide

C13H16N2O2S — CID 101252932

IUPACN-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-2-3-11(13)9-14/h5-8,11,13,15H,2-4H2,1H3/t11-,13-/m1/s1
InChIKeyVMEHWKYUBRIRFM-DGCLKSJQSA-N
MW264.35 g/mol
LogP1.97
Rot. Bonds3

About N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide

N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 101252932) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
PubChem CID101252932
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-2-3-11(13)9-14/h5-8,11,13,15H,2-4H2,1H3/t11-,13-/m1/s1
InChIKeyVMEHWKYUBRIRFM-DGCLKSJQSA-N
XLogP1.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide (CID 101252932) is N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)cc1.
What is the InChIKey of N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is VMEHWKYUBRIRFM-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-2-3-11(13)9-14/h5-8,11,13,15H,2-4H2,1H3/t11-,13-/m1/s1.
What are the key properties of N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide?
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101252932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).