2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

C8H7BrF3NO4S2 — CID 79258817

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H7BrF3NO4S2/c9-5-1-2-7(18-5)19(16,17)13(3-6(14)15)4-8(10,11)12/h1-2H,3-4H2,(H,14,15)
InChIKeyFHZHDLQKCDPAAM-UHFFFAOYSA-N
MW382.18 g/mol
LogP2.15
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258817) has the molecular formula C8H7BrF3NO4S2 and a molecular weight of 382.18 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258817
Molecular FormulaC8H7BrF3NO4S2
Molecular Weight382.18 g/mol
Exact Mass380.90
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H7BrF3NO4S2/c9-5-1-2-7(18-5)19(16,17)13(3-6(14)15)4-8(10,11)12/h1-2H,3-4H2,(H,14,15)
InChIKeyFHZHDLQKCDPAAM-UHFFFAOYSA-N
XLogP2.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258817) is 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FHZHDLQKCDPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO4S2/c9-5-1-2-7(18-5)19(16,17)13(3-6(14)15)4-8(10,11)12/h1-2H,3-4H2,(H,14,15).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 382.18 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).