N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide

C22H21IN2O3S — CID 23628425

IUPACN-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=N\OCc2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C22H21IN2O3S/c1-18-11-13-20(14-12-18)29(26,27)25(22-10-6-5-9-21(22)23)16-15-24-28-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3/b24-15-
InChIKeySHSOYFMRSUURGB-IWIPYMOSSA-N
MW520.39 g/mol
LogP5.00
Rot. Bonds8

About N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide

N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide (PubChem CID 23628425) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide
PubChem CID23628425
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC NameN-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=N\OCc2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C22H21IN2O3S/c1-18-11-13-20(14-12-18)29(26,27)25(22-10-6-5-9-21(22)23)16-15-24-28-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3/b24-15-
InChIKeySHSOYFMRSUURGB-IWIPYMOSSA-N
XLogP5.00
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
(4-phenylphenyl)methyl 4-methylbenzenesulfonate
CID 102437017
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
(3Z)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenylmethoxyiminopropan-2-one
CID 101007735
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 132849370

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide (CID 23628425) is N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C/C=N\OCc2ccccc2)c2ccccc2I)cc1.
What is the InChIKey of N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide?
The InChIKey is SHSOYFMRSUURGB-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-18-11-13-20(14-12-18)29(26,27)25(22-10-6-5-9-21(22)23)16-15-24-28-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3/b24-15-.
What are the key properties of N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide?
N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide has a molecular weight of 520.39 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide is sourced from PubChem (CID 23628425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).