N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C15H13BrClFN2O3S — CID 2210102

IUPACN-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrClFN2O3S/c1-24(22,23)20(12-5-2-10(18)3-6-12)9-15(21)19-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyBIWWFMWIHFMAQS-UHFFFAOYSA-N
MW435.70 g/mol
LogP3.65
Rot. Bonds5

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

N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2210102) has the molecular formula C15H13BrClFN2O3S and a molecular weight of 435.70 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2210102
Molecular FormulaC15H13BrClFN2O3S
Molecular Weight435.70 g/mol
Exact Mass433.95
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrClFN2O3S/c1-24(22,23)20(12-5-2-10(18)3-6-12)9-15(21)19-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyBIWWFMWIHFMAQS-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
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
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100544170
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 2210102) is N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is BIWWFMWIHFMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O3S/c1-24(22,23)20(12-5-2-10(18)3-6-12)9-15(21)19-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 435.70 g/mol, XLogP of 3.65, 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-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2210102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).