N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

C17H18BrClN2O3S — CID 126261953

IUPACN-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-6-14(8-12(11)2)21(25(3,23)24)10-17(22)20-13-5-7-15(18)16(19)9-13/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyIVAWMMCGENYXCQ-UHFFFAOYSA-N
MW445.77 g/mol
LogP4.12
Rot. Bonds5

About N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 126261953) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID126261953
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-6-14(8-12(11)2)21(25(3,23)24)10-17(22)20-13-5-7-15(18)16(19)9-13/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyIVAWMMCGENYXCQ-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-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270464
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153931
N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153927
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 126261953) is N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is IVAWMMCGENYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c1-11-4-6-14(8-12(11)2)21(25(3,23)24)10-17(22)20-13-5-7-15(18)16(19)9-13/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-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-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126261953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).