3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C10H9BrN2O2S2 — CID 61073396

IUPAC3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1sccc1Br
InChIInChI=1S/C10H9BrN2O2S2/c11-9-4-6-16-10(9)17(14,15)13-7-8-3-1-2-5-12-8/h1-6,13H,7H2
InChIKeyIQNNYAKSLXTZFV-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.38
Rot. Bonds4

About 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61073396) has the molecular formula C10H9BrN2O2S2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID61073396
Molecular FormulaC10H9BrN2O2S2
Molecular Weight333.23 g/mol
Exact Mass331.93
IUPAC Name3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1sccc1Br
InChIInChI=1S/C10H9BrN2O2S2/c11-9-4-6-16-10(9)17(14,15)13-7-8-3-1-2-5-12-8/h1-6,13H,7H2
InChIKeyIQNNYAKSLXTZFV-UHFFFAOYSA-N
XLogP2.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide 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

3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106406982
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61072956
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 54952391
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 61073396) is 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccccn1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is IQNNYAKSLXTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S2/c11-9-4-6-16-10(9)17(14,15)13-7-8-3-1-2-5-12-8/h1-6,13H,7H2.
What are the key properties of 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 333.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61073396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).