N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

C17H18N2O2S — CID 102465039

IUPACN-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC#N)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-14-7-9-17(10-8-14)22(20,21)19-16(11-12-18)13-15-5-3-2-4-6-15/h2-10,16,19H,11,13H2,1H3/t16-/m0/s1
InChIKeyMJLFREBWUQLZJN-INIZCTEOSA-N
MW314.41 g/mol
LogP2.80
Rot. Bonds6

About N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 102465039) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID102465039
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC#N)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-14-7-9-17(10-8-14)22(20,21)19-16(11-12-18)13-15-5-3-2-4-6-15/h2-10,16,19H,11,13H2,1H3/t16-/m0/s1
InChIKeyMJLFREBWUQLZJN-INIZCTEOSA-N
XLogP2.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-benzyl-
CID 95801
4-cyano-N-cyclopropylbenzene-1-sulfonamide
CID 2529983
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3731938
4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
2,4,6-Trimethyl-N-phenethyl-1-benzenesulfonamide
CID 3109779
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
3-methyl-N-phenethylbenzenesulfonamide
CID 890664

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (CID 102465039) is N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CC#N)Cc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MJLFREBWUQLZJN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-14-7-9-17(10-8-14)22(20,21)19-16(11-12-18)13-15-5-3-2-4-6-15/h2-10,16,19H,11,13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102465039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).