5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide

C12H12BrNO2S2 — CID 2942461

IUPAC5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C12H12BrNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3
InChIKeyNURPASYGVRKHGU-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.55
Rot. Bonds4

About 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide

5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide (PubChem CID 2942461) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide
PubChem CID2942461
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C12H12BrNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3
InChIKeyNURPASYGVRKHGU-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1-phenylethyl)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

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
N-benzylthiophene-2-sulfonamide
CID 765826
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
5-bromo-N-(2-phenylethyl)-2-thiophenesulfonamide
CID 848219
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N-[2-(azepan-1-yl)-2-phenylethyl]-5-bromothiophene-2-sulfonamide
CID 49862519
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide (CID 2942461) is 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is NURPASYGVRKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3.
What are the key properties of 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide?
5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2942461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).