N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide

C27H26N2O3S — CID 146166486

IUPACN-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide
SMILESC/C(c1ccccc1)=[N+](/[O-])C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O3S/c1-20-12-16-26(17-13-20)33(31,32)28-19-27(29(30)21(2)22-8-4-3-5-9-22)25-15-14-23-10-6-7-11-24(23)18-25/h3-18,27-28H,19H2,1-2H3/b29-21-
InChIKeyKVRIMSBYEKTUIO-ANYBSYGZSA-N
MW458.58 g/mol
LogP5.19
Rot. Bonds7

About N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide

N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide (PubChem CID 146166486) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide
PubChem CID146166486
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide
SMILESC/C(c1ccccc1)=[N+](/[O-])C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O3S/c1-20-12-16-26(17-13-20)33(31,32)28-19-27(29(30)21(2)22-8-4-3-5-9-22)25-15-14-23-10-6-7-11-24(23)18-25/h3-18,27-28H,19H2,1-2H3/b29-21-
InChIKeyKVRIMSBYEKTUIO-ANYBSYGZSA-N
XLogP5.19
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl] (E)-but-2-enoate
CID 101158790
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide
CID 102291729
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
(4-nitrophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-naphthalen-2-ylpropanoate
CID 135065452
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[(2R,3S)-3-(benzhydrylideneamino)-3-(4-bromophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 177441474
4-(4-methylphenyl)sulfonyl-1-naphthalen-2-ylbut-2-yn-1-ol
CID 101160197

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide (CID 146166486) is N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide is C/C(c1ccccc1)=[N+](/[O-])C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide?
The InChIKey is KVRIMSBYEKTUIO-ANYBSYGZSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-20-12-16-26(17-13-20)33(31,32)28-19-27(29(30)21(2)22-8-4-3-5-9-22)25-15-14-23-10-6-7-11-24(23)18-25/h3-18,27-28H,19H2,1-2H3/b29-21-.
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide?
N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide has a molecular weight of 458.58 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide is sourced from PubChem (CID 146166486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).