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

C14H10BrClF3NO3S2 — CID 22427331

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO3S2/c15-11-3-4-13(24-11)25(22,23)6-5-12(21)20-8-1-2-10(16)9(7-8)14(17,18)19/h1-4,7H,5-6H2,(H,20,21)
InChIKeyLFUBBOYGXSBEIR-UHFFFAOYSA-N
MW476.72 g/mol
LogP4.99
Rot. Bonds5

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

3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 22427331) has the molecular formula C14H10BrClF3NO3S2 and a molecular weight of 476.72 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID22427331
Molecular FormulaC14H10BrClF3NO3S2
Molecular Weight476.72 g/mol
Exact Mass474.89
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO3S2/c15-11-3-4-13(24-11)25(22,23)6-5-12(21)20-8-1-2-10(16)9(7-8)14(17,18)19/h1-4,7H,5-6H2,(H,20,21)
InChIKeyLFUBBOYGXSBEIR-UHFFFAOYSA-N
XLogP4.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.72
LogP ≤ 54.99
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-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 22427331) is 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LFUBBOYGXSBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO3S2/c15-11-3-4-13(24-11)25(22,23)6-5-12(21)20-8-1-2-10(16)9(7-8)14(17,18)19/h1-4,7H,5-6H2,(H,20,21).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 476.72 g/mol, XLogP of 4.99, 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-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).