N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

C16H16ClIN2O3S — CID 126035088

IUPACN-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClIN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPKMBSWWVUWMHEH-UHFFFAOYSA-N
MW478.74 g/mol
LogP3.66
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 126035088) has the molecular formula C16H16ClIN2O3S and a molecular weight of 478.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID126035088
Molecular FormulaC16H16ClIN2O3S
Molecular Weight478.74 g/mol
Exact Mass477.96
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClIN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPKMBSWWVUWMHEH-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

N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 2206356

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 126035088) is N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is PKMBSWWVUWMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126035088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).