5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide

C12H11BrF3N3O2S2 — CID 71797021

IUPAC5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrF3N3O2S2/c1-7-6-8(12(14,15)16)19-10(18-7)4-5-17-23(20,21)11-3-2-9(13)22-11/h2-3,6,17H,4-5H2,1H3
InChIKeyVXGZYUBQJHDXQT-UHFFFAOYSA-N
MW430.27 g/mol
LogP3.15
Rot. Bonds5

About 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 71797021) has the molecular formula C12H11BrF3N3O2S2 and a molecular weight of 430.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide
PubChem CID71797021
Molecular FormulaC12H11BrF3N3O2S2
Molecular Weight430.27 g/mol
Exact Mass428.94
IUPAC Name5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrF3N3O2S2/c1-7-6-8(12(14,15)16)19-10(18-7)4-5-17-23(20,21)11-3-2-9(13)22-11/h2-3,6,17H,4-5H2,1H3
InChIKeyVXGZYUBQJHDXQT-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide (CID 71797021) is 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide is Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is VXGZYUBQJHDXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3O2S2/c1-7-6-8(12(14,15)16)19-10(18-7)4-5-17-23(20,21)11-3-2-9(13)22-11/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 430.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71797021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).