N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide

C21H18BrFN2O3S — CID 25487605

IUPACN-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(Br)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-11-12-19(17(22)13-15)24-21(26)14-25(16-7-3-2-4-8-16)29(27,28)20-10-6-5-9-18(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMWBYXXUSSWNSNB-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.73
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide

N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 25487605) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
PubChem CID25487605
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(Br)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-11-12-19(17(22)13-15)24-21(26)14-25(16-7-3-2-4-8-16)29(27,28)20-10-6-5-9-18(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMWBYXXUSSWNSNB-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-(N-(2-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 36574960
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide (CID 25487605) is N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is MWBYXXUSSWNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-15-11-12-19(17(22)13-15)24-21(26)14-25(16-7-3-2-4-8-16)29(27,28)20-10-6-5-9-18(20)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 477.36 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 25487605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).