3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide

C14H11BrF3NO3S2 — CID 22427343

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO3S2/c15-11-5-6-13(23-11)24(21,22)8-7-12(20)19-10-3-1-9(2-4-10)14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyVRFHHTBSDJPEIX-UHFFFAOYSA-N
MW442.28 g/mol
LogP4.33
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22427343) has the molecular formula C14H11BrF3NO3S2 and a molecular weight of 442.28 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22427343
Molecular FormulaC14H11BrF3NO3S2
Molecular Weight442.28 g/mol
Exact Mass440.93
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO3S2/c15-11-5-6-13(23-11)24(21,22)8-7-12(20)19-10-3-1-9(2-4-10)14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyVRFHHTBSDJPEIX-UHFFFAOYSA-N
XLogP4.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 22427343) is 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VRFHHTBSDJPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S2/c15-11-5-6-13(23-11)24(21,22)8-7-12(20)19-10-3-1-9(2-4-10)14(16,17)18/h1-6H,7-8H2,(H,19,20).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 442.28 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22427343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).