3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide

C12H18BrNO2S2 — CID 64916244

IUPAC3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2sccc2Br)C1C
InChIInChI=1S/C12H18BrNO2S2/c1-3-9-4-5-11(8(9)2)14-18(15,16)12-10(13)6-7-17-12/h6-9,11,14H,3-5H2,1-2H3
InChIKeyZVRKXGHSOSUCTJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.61
Rot. Bonds4

About 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide

3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide (PubChem CID 64916244) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
PubChem CID64916244
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC Name3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2sccc2Br)C1C
InChIInChI=1S/C12H18BrNO2S2/c1-3-9-4-5-11(8(9)2)14-18(15,16)12-10(13)6-7-17-12/h6-9,11,14H,3-5H2,1-2H3
InChIKeyZVRKXGHSOSUCTJ-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
CID 62408848
3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 103835912
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64921363
3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
CID 107343626
N-(3-ethyl-2-methylcyclopentyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306293
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide (CID 64916244) is 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide is CCC1CCC(NS(=O)(=O)c2sccc2Br)C1C.
What is the InChIKey of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide?
The InChIKey is ZVRKXGHSOSUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c1-3-9-4-5-11(8(9)2)14-18(15,16)12-10(13)6-7-17-12/h6-9,11,14H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide?
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 64916244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).