N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide

C17H16BrClF2N2O3S — CID 100544170

IUPACN-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16BrClF2N2O3S/c1-27(25,26)23(12-5-7-15(20)16(21)10-12)8-2-3-17(24)22-11-4-6-13(18)14(19)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)
InChIKeyUCYMKRQUYFGICE-UHFFFAOYSA-N
MW481.75 g/mol
LogP4.57
Rot. Bonds7

About N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide

N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide (PubChem CID 100544170) has the molecular formula C17H16BrClF2N2O3S and a molecular weight of 481.75 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
PubChem CID100544170
Molecular FormulaC17H16BrClF2N2O3S
Molecular Weight481.75 g/mol
Exact Mass479.97
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16BrClF2N2O3S/c1-27(25,26)23(12-5-7-15(20)16(21)10-12)8-2-3-17(24)22-11-4-6-13(18)14(19)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)
InChIKeyUCYMKRQUYFGICE-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.75
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100531525
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147284
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
ethyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92675030

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide (CID 100544170) is N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is UCYMKRQUYFGICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClF2N2O3S/c1-27(25,26)23(12-5-7-15(20)16(21)10-12)8-2-3-17(24)22-11-4-6-13(18)14(19)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,24).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide?
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 481.75 g/mol, XLogP of 4.57, 7 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)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 100544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).