N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide

C16H17ClN2O4S — CID 11451493

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-6-2-13(3-7-15)12-19(20)11-10-18-24(21,22)16-8-4-14(17)5-9-16/h2-9,12,18H,10-11H2,1H3/b19-12-
InChIKeyPKTFGCNLFBFVPU-UNOMPAQXSA-N
MW368.84 g/mol
LogP2.26
Rot. Bonds7

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide (PubChem CID 11451493) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
PubChem CID11451493
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-6-2-13(3-7-15)12-19(20)11-10-18-24(21,22)16-8-4-14(17)5-9-16/h2-9,12,18H,10-11H2,1H3/b19-12-
InChIKeyPKTFGCNLFBFVPU-UNOMPAQXSA-N
XLogP2.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium
CID 3746411
N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
CID 135075303
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide (CID 11451493) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide is COc1ccc(/C=[N+](\[O-])CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The InChIKey is PKTFGCNLFBFVPU-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-15-6-2-13(3-7-15)12-19(20)11-10-18-24(21,22)16-8-4-14(17)5-9-16/h2-9,12,18H,10-11H2,1H3/b19-12-.
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide has a molecular weight of 368.84 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 11451493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).