N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide

C12H16N2O2S — CID 79017328

IUPACN-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeySVSSMZRDTLJHER-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.45
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide

N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide (PubChem CID 79017328) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
PubChem CID79017328
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeySVSSMZRDTLJHER-UHFFFAOYSA-N
XLogP1.45
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(2-cyanopropan-2-yl)propane-1-sulfonamide
CID 61127904
3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110406269
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61124897
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide (CID 79017328) is N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide is CC(C)(C#N)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide?
The InChIKey is SVSSMZRDTLJHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide?
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 79017328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).