N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide

C22H19Cl2IN2O4S — CID 67283362

IUPACN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
SMILESCN(c1ccc(NC(=O)c2ccc(I)cc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C22H19Cl2IN2O4S/c1-27(32(2,29)30)20-10-8-18(26-22(28)14-3-6-17(25)7-4-14)12-21(20)31-13-15-11-16(23)5-9-19(15)24/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeySQVYWZCICATCIV-UHFFFAOYSA-N
MW605.28 g/mol
LogP5.83
Rot. Bonds7

About N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide

N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide (PubChem CID 67283362) has the molecular formula C22H19Cl2IN2O4S and a molecular weight of 605.28 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
PubChem CID67283362
Molecular FormulaC22H19Cl2IN2O4S
Molecular Weight605.28 g/mol
Exact Mass603.95
IUPAC NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
SMILESCN(c1ccc(NC(=O)c2ccc(I)cc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C22H19Cl2IN2O4S/c1-27(32(2,29)30)20-10-8-18(26-22(28)14-3-6-17(25)7-4-14)12-21(20)31-13-15-11-16(23)5-9-19(15)24/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeySQVYWZCICATCIV-UHFFFAOYSA-N
XLogP5.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.28
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 24807243
CID 24807243
CID 24807244
CID 24807244
CID 24807434
CID 24807434
CID 56961781
CID 56961781
CID 56968625
CID 56968625
CID 56969065
CID 56969065
CID 56969726
CID 56969726
CID 56969727
CID 56969727
CID 67283402
CID 67283402
CID 1313347
CID 1313347
CID 24807245
CID 24807245
CID 24807436
CID 24807436

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide?
The IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide (CID 67283362) is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide?
The canonical SMILES for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide is CN(c1ccc(NC(=O)c2ccc(I)cc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide?
The InChIKey is SQVYWZCICATCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2IN2O4S/c1-27(32(2,29)30)20-10-8-18(26-22(28)14-3-6-17(25)7-4-14)12-21(20)31-13-15-11-16(23)5-9-19(15)24/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide?
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide has a molecular weight of 605.28 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide is sourced from PubChem (CID 67283362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).