3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

C16H12BrClF3NO3S — CID 3456802

IUPAC3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12BrClF3NO3S/c17-10-1-4-12(5-2-10)26(24,25)8-7-15(23)22-11-3-6-14(18)13(9-11)16(19,20)21/h1-6,9H,7-8H2,(H,22,23)
InChIKeyGGXSGZONGHMUDA-UHFFFAOYSA-N
MW470.69 g/mol
LogP4.92
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3456802) has the molecular formula C16H12BrClF3NO3S and a molecular weight of 470.69 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID3456802
Molecular FormulaC16H12BrClF3NO3S
Molecular Weight470.69 g/mol
Exact Mass468.94
IUPAC Name3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12BrClF3NO3S/c17-10-1-4-12(5-2-10)26(24,25)8-7-15(23)22-11-3-6-14(18)13(9-11)16(19,20)21/h1-6,9H,7-8H2,(H,22,23)
InChIKeyGGXSGZONGHMUDA-UHFFFAOYSA-N
XLogP4.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.69
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 25181480
3-[(4-bromophenyl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 1343016
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 15989015
3-(4-Bromobenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3347769
3-(4-bromophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16001690
2-[4-(4-Bromobenzenesulfonyl)piperazin-1-YL]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3558939
3-(4-bromophenyl)sulfonyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 3347770
3-(4-Bromobenzenesulfonyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 4089356
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547647

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 3456802) is 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GGXSGZONGHMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3NO3S/c17-10-1-4-12(5-2-10)26(24,25)8-7-15(23)22-11-3-6-14(18)13(9-11)16(19,20)21/h1-6,9H,7-8H2,(H,22,23).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 470.69 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3456802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).