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

C16H13BrF3NO3S — CID 3347769

IUPAC3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF3NO3S/c17-12-4-6-14(7-5-12)25(23,24)9-8-15(22)21-13-3-1-2-11(10-13)16(18,19)20/h1-7,10H,8-9H2,(H,21,22)
InChIKeyQNVDRBWRUCTTRQ-UHFFFAOYSA-N
MW436.25 g/mol
LogP4.27
Rot. Bonds5

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

3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3347769) has the molecular formula C16H13BrF3NO3S and a molecular weight of 436.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3347769
Molecular FormulaC16H13BrF3NO3S
Molecular Weight436.25 g/mol
Exact Mass434.98
IUPAC Name3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF3NO3S/c17-12-4-6-14(7-5-12)25(23,24)9-8-15(22)21-13-3-1-2-11(10-13)16(18,19)20/h1-7,10H,8-9H2,(H,21,22)
InChIKeyQNVDRBWRUCTTRQ-UHFFFAOYSA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3347769) is 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QNVDRBWRUCTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO3S/c17-12-4-6-14(7-5-12)25(23,24)9-8-15(22)21-13-3-1-2-11(10-13)16(18,19)20/h1-7,10H,8-9H2,(H,21,22).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 436.25 g/mol, XLogP of 4.27, 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-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3347769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).