N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide

C9H10BrClN2O4S2 — CID 80742266

IUPACN-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NC2CCCC2Br)sc1Cl
InChIInChI=1S/C9H10BrClN2O4S2/c10-5-2-1-3-6(5)12-19(16,17)8-4-7(13(14)15)9(11)18-8/h4-6,12H,1-3H2
InChIKeySXQVUUDELPASJK-UHFFFAOYSA-N
MW389.68 g/mol
LogP2.90
Rot. Bonds4

About N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide

N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 80742266) has the molecular formula C9H10BrClN2O4S2 and a molecular weight of 389.68 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID80742266
Molecular FormulaC9H10BrClN2O4S2
Molecular Weight389.68 g/mol
Exact Mass387.90
IUPAC NameN-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NC2CCCC2Br)sc1Cl
InChIInChI=1S/C9H10BrClN2O4S2/c10-5-2-1-3-6(5)12-19(16,17)8-4-7(13(14)15)9(11)18-8/h4-6,12H,1-3H2
InChIKeySXQVUUDELPASJK-UHFFFAOYSA-N
XLogP2.90
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-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-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
CID 80741858
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80734680
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
N-(2-bromocyclopentyl)-4-methyl-3-nitrobenzenesulfonamide
CID 80662439
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
(2S,6R)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2,6-dimethylpiperidine
CID 104967304
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide (CID 80742266) is N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NC2CCCC2Br)sc1Cl.
What is the InChIKey of N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is SXQVUUDELPASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O4S2/c10-5-2-1-3-6(5)12-19(16,17)8-4-7(13(14)15)9(11)18-8/h4-6,12H,1-3H2.
What are the key properties of N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 389.68 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).