5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide

C11H8Br2ClNO2S2 — CID 114296086

IUPAC5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H8Br2ClNO2S2/c12-6-7-3-1-2-4-9(7)15-19(16,17)10-5-8(14)11(13)18-10/h1-5,15H,6H2
InChIKeyJYRQWEOIXUEBFJ-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.86
Rot. Bonds4

About 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide

5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide (PubChem CID 114296086) has the molecular formula C11H8Br2ClNO2S2 and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
PubChem CID114296086
Molecular FormulaC11H8Br2ClNO2S2
Molecular Weight445.59 g/mol
Exact Mass442.81
IUPAC Name5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H8Br2ClNO2S2/c12-6-7-3-1-2-4-9(7)15-19(16,17)10-5-8(14)11(13)18-10/h1-5,15H,6H2
InChIKeyJYRQWEOIXUEBFJ-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-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

5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
CID 80577549
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide (CID 114296086) is 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1CBr)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide?
The InChIKey is JYRQWEOIXUEBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO2S2/c12-6-7-3-1-2-4-9(7)15-19(16,17)10-5-8(14)11(13)18-10/h1-5,15H,6H2.
What are the key properties of 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide?
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 114296086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).