N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide

C20H18N4O2S — CID 25149384

IUPACN-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide
SMILES[N-]=[N+]=N[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4O2S/c21-24-22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-27(25,26)18-14-8-3-9-15-18/h1-15,19-20,23H/t19-,20+/m1/s1
InChIKeyXVFMECAAJNQPLO-UXHICEINSA-N
MW378.46 g/mol
LogP4.76
Rot. Bonds7

About N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide

N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide (PubChem CID 25149384) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide
PubChem CID25149384
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide
SMILES[N-]=[N+]=N[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4O2S/c21-24-22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-27(25,26)18-14-8-3-9-15-18/h1-15,19-20,23H/t19-,20+/m1/s1
InChIKeyXVFMECAAJNQPLO-UXHICEINSA-N
XLogP4.76
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide (CID 25149384) is N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide is [N-]=[N+]=N[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide?
The InChIKey is XVFMECAAJNQPLO-UXHICEINSA-N. The full InChI is InChI=1S/C20H18N4O2S/c21-24-22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-27(25,26)18-14-8-3-9-15-18/h1-15,19-20,23H/t19-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide?
N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-azido-1,2-diphenylethyl]benzenesulfonamide is sourced from PubChem (CID 25149384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).