[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine

C13H12BrFN2O2S2 — CID 103504255

IUPAC[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESNCc1cc(S(=O)(=O)N2CCc3ccc(F)cc32)c(Br)s1
InChIInChI=1S/C13H12BrFN2O2S2/c14-13-12(6-10(7-16)20-13)21(18,19)17-4-3-8-1-2-9(15)5-11(8)17/h1-2,5-6H,3-4,7,16H2
InChIKeyIZSGFDMKVHPUFC-UHFFFAOYSA-N
MW391.29 g/mol
LogP2.86
Rot. Bonds3

About [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine

[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine (PubChem CID 103504255) has the molecular formula C13H12BrFN2O2S2 and a molecular weight of 391.29 g/mol. Its IUPAC name is [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine
PubChem CID103504255
Molecular FormulaC13H12BrFN2O2S2
Molecular Weight391.29 g/mol
Exact Mass389.95
IUPAC Name[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESNCc1cc(S(=O)(=O)N2CCc3ccc(F)cc32)c(Br)s1
InChIInChI=1S/C13H12BrFN2O2S2/c14-13-12(6-10(7-16)20-13)21(18,19)17-4-3-8-1-2-9(15)5-11(8)17/h1-2,5-6H,3-4,7,16H2
InChIKeyIZSGFDMKVHPUFC-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine (CID 103504255) is [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine is NCc1cc(S(=O)(=O)N2CCc3ccc(F)cc32)c(Br)s1.
What is the InChIKey of [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The InChIKey is IZSGFDMKVHPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S2/c14-13-12(6-10(7-16)20-13)21(18,19)17-4-3-8-1-2-9(15)5-11(8)17/h1-2,5-6H,3-4,7,16H2.
What are the key properties of [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine?
[5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine has a molecular weight of 391.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 103504255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).