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

C9H9BrN2O2S2 — CID 11666911

IUPAC5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyRFUPXAAOMFZDJK-UHFFFAOYSA-N
MW321.22 g/mol
LogP1.96
Rot. Bonds3

About 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene

5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene (PubChem CID 11666911) has the molecular formula C9H9BrN2O2S2 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
PubChem CID11666911
Molecular FormulaC9H9BrN2O2S2
Molecular Weight321.22 g/mol
Exact Mass319.93
IUPAC Name5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyRFUPXAAOMFZDJK-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

Analyze 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj 26990990
CID 11687376
(5-Bromobenzo[b]thiophen-3-yl)methanamine
CID 7537503
N-[(4-bromo-1-benzothien-3-yl)methyl]sulfamide
CID 11623927
N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide
CID 3866288
(5-Bromo-1-benzothiophen-2-YL)methanamine
CID 71043269
2-(5-Bromo-1-benzothiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 32098
Benzo(b)thiophene-3-ethylamine, 5-bromo-, hydrochloride
CID 89947
N-[(5-fluoro-1-benzothien-3-yl)methyl]sulfamide
CID 11623060
rac-N-[1-(1-benzothien-3-yl)ethyl]sulfamide
CID 11637451
N-(1-benzothiophen-2-ylmethyl)-4-bromobenzenesulfonamide
CID 141518727
Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride
CID 31580
2-(5-Bromo-1-benzothiophen-3-yl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
CID 31582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The IUPAC name of 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene (CID 11666911) is 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene.
What is the SMILES notation for 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The canonical SMILES for 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene is NS(=O)(=O)NCc1csc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The InChIKey is RFUPXAAOMFZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14).
What are the key properties of 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene?
5-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 5-bromo-3-[(sulfamoylamino)methyl]-1-benzothiophene is sourced from PubChem (CID 11666911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).