N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide

C19H22N2O2S — CID 66857735

IUPACN-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m0/s1
InChIKeyHOQAVGZLYRYHSO-HNNXBMFYSA-N
MW342.46 g/mol
LogP3.66
Rot. Bonds6

About N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide

N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 66857735) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
PubChem CID66857735
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m0/s1
InChIKeyHOQAVGZLYRYHSO-HNNXBMFYSA-N
XLogP3.66
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide (CID 66857735) is N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is HOQAVGZLYRYHSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide?
N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 66857735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).