N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide

C22H22FNO2S — CID 134960766

IUPACN-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3/t20-/m0/s1
InChIKeyGROKGKFARFSORS-FQEVSTJZSA-N
MW383.49 g/mol
LogP4.44
Rot. Bonds7

About N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide

N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 134960766) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID134960766
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3/t20-/m0/s1
InChIKeyGROKGKFARFSORS-FQEVSTJZSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide (CID 134960766) is N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is GROKGKFARFSORS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22FNO2S/c1-17-10-12-22(13-11-17)27(25,26)24-16-20(19-7-3-2-4-8-19)14-18-6-5-9-21(23)15-18/h2-13,15,20,24H,14,16H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide?
N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134960766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).