N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

C17H18BrClN2O3S — CID 1288859

IUPACN-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-5-13(19)9-16(11)21(25(3,23)24)10-17(22)20-14-6-7-15(18)12(2)8-14/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyWSIAVINJPMNCTR-UHFFFAOYSA-N
MW445.77 g/mol
LogP4.12
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 1288859) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID1288859
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-5-13(19)9-16(11)21(25(3,23)24)10-17(22)20-14-6-7-15(18)12(2)8-14/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyWSIAVINJPMNCTR-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2280606
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (CID 1288859) is N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is Cc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is WSIAVINJPMNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c1-11-4-5-13(19)9-16(11)21(25(3,23)24)10-17(22)20-14-6-7-15(18)12(2)8-14/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 445.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1288859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).