4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene

C9H9BrN2O2S2 — CID 11623927

IUPAC4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2cccc(Br)c12
InChIInChI=1S/C9H9BrN2O2S2/c10-7-2-1-3-8-9(7)6(5-15-8)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyFBZAPOBZDNKPQH-UHFFFAOYSA-N
MW321.22 g/mol
LogP1.96
Rot. Bonds3

About 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene

4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene (PubChem CID 11623927) has the molecular formula C9H9BrN2O2S2 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
PubChem CID11623927
Molecular FormulaC9H9BrN2O2S2
Molecular Weight321.22 g/mol
Exact Mass319.93
IUPAC Name4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2cccc(Br)c12
InChIInChI=1S/C9H9BrN2O2S2/c10-7-2-1-3-8-9(7)6(5-15-8)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyFBZAPOBZDNKPQH-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The IUPAC name of 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene (CID 11623927) is 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene.
What is the SMILES notation for 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The canonical SMILES for 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene is NS(=O)(=O)NCc1csc2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The InChIKey is FBZAPOBZDNKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S2/c10-7-2-1-3-8-9(7)6(5-15-8)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14).
What are the key properties of 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene has a molecular weight of 321.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene is sourced from PubChem (CID 11623927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).