N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide

C15H13BrCl2N2O3S — CID 2290391

IUPACN-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(13-7-3-6-12(17)15(13)18)9-14(21)19-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyXFIHTQYMKQQMEQ-UHFFFAOYSA-N
MW452.16 g/mol
LogP4.16
Rot. Bonds5

About N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide

N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 2290391) has the molecular formula C15H13BrCl2N2O3S and a molecular weight of 452.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID2290391
Molecular FormulaC15H13BrCl2N2O3S
Molecular Weight452.16 g/mol
Exact Mass449.92
IUPAC NameN-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(13-7-3-6-12(17)15(13)18)9-14(21)19-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyXFIHTQYMKQQMEQ-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(3-bromophenyl)-4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 100771740
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide (CID 2290391) is N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is XFIHTQYMKQQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(13-7-3-6-12(17)15(13)18)9-14(21)19-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide?
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 452.16 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2290391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).