N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

C16H16ClIN2O3S — CID 4016109

IUPACN-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClIN2O3S/c1-11-9-12(17)3-8-15(11)19-16(21)10-20(24(2,22)23)14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCTUWEAOHTXLTIA-UHFFFAOYSA-N
MW478.74 g/mol
LogP3.66
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 4016109) has the molecular formula C16H16ClIN2O3S and a molecular weight of 478.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID4016109
Molecular FormulaC16H16ClIN2O3S
Molecular Weight478.74 g/mol
Exact Mass477.96
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClIN2O3S/c1-11-9-12(17)3-8-15(11)19-16(21)10-20(24(2,22)23)14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCTUWEAOHTXLTIA-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 1243031
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
N-(4-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265040
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 4016109) is N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is CTUWEAOHTXLTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O3S/c1-11-9-12(17)3-8-15(11)19-16(21)10-20(24(2,22)23)14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide has a molecular weight of 478.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 4016109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).