N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide

C21H22N2O2S — CID 6612782

IUPACN-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
InChIKeyUOPFIWYXBIHPIP-SFTDATJTSA-N
MW366.49 g/mol
LogP3.71
Rot. Bonds6

About N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide (PubChem CID 6612782) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
PubChem CID6612782
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
InChIKeyUOPFIWYXBIHPIP-SFTDATJTSA-N
XLogP3.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide (CID 6612782) is N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is UOPFIWYXBIHPIP-SFTDATJTSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1.
What are the key properties of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6612782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).