N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide

C9H11BrClNO2S2 — CID 80662650

IUPACN-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNO2S2/c10-6-2-1-3-7(6)12-16(13,14)9-5-4-8(11)15-9/h4-7,12H,1-3H2
InChIKeyVCWQCYNZSGDXII-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.00
Rot. Bonds3

About N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide

N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 80662650) has the molecular formula C9H11BrClNO2S2 and a molecular weight of 344.68 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
PubChem CID80662650
Molecular FormulaC9H11BrClNO2S2
Molecular Weight344.68 g/mol
Exact Mass342.91
IUPAC NameN-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNO2S2/c10-6-2-1-3-7(6)12-16(13,14)9-5-4-8(11)15-9/h4-7,12H,1-3H2
InChIKeyVCWQCYNZSGDXII-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclopentyl)-5-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-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
5-chloro-N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]thiophene-2-sulfonamide
CID 133130662
5-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]thiophene-2-sulfonamide
CID 95984008
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(3-aminocyclobutyl)-5-chlorothiophene-2-sulfonamide
CID 43597846
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide (CID 80662650) is N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(NC1CCCC1Br)c1ccc(Cl)s1.
What is the InChIKey of N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is VCWQCYNZSGDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S2/c10-6-2-1-3-7(6)12-16(13,14)9-5-4-8(11)15-9/h4-7,12H,1-3H2.
What are the key properties of N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide?
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 344.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).