5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

C12H9BrF3NO2S2 — CID 23641873

IUPAC5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C12H9BrF3NO2S2/c13-10-5-6-11(20-10)21(18,19)17-7-8-3-1-2-4-9(8)12(14,15)16/h1-6,17H,7H2
InChIKeyJPVYJMUPKCIDPP-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 23641873) has the molecular formula C12H9BrF3NO2S2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID23641873
Molecular FormulaC12H9BrF3NO2S2
Molecular Weight400.24 g/mol
Exact Mass398.92
IUPAC Name5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C12H9BrF3NO2S2/c13-10-5-6-11(20-10)21(18,19)17-7-8-3-1-2-4-9(8)12(14,15)16/h1-6,17H,7H2
InChIKeyJPVYJMUPKCIDPP-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-phenylethyl)-2-thiophenesulfonamide
CID 848219
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 2942461
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 894103
2-[(5-Bromo-2-thienyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1282336
4,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 2740402
N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 697911
Cyto10A7
CID 2740403
N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 27305801
N-(2-(thiophen-3-yl)benzyl)-2-(trifluoromethyl)benzenesulfonamide
CID 71809991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 23641873) is 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1C(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is JPVYJMUPKCIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO2S2/c13-10-5-6-11(20-10)21(18,19)17-7-8-3-1-2-4-9(8)12(14,15)16/h1-6,17H,7H2.
What are the key properties of 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 400.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23641873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).