5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide

C11H15Br2NO2S2 — CID 114297165

IUPAC5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CBr)CCCC2)sc1Br
InChIInChI=1S/C11H15Br2NO2S2/c1-8-6-9(17-10(8)13)18(15,16)14-11(7-12)4-2-3-5-11/h6,14H,2-5,7H2,1H3
InChIKeyFKBXXXAUNPUQJV-UHFFFAOYSA-N
MW417.19 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide (PubChem CID 114297165) has the molecular formula C11H15Br2NO2S2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
PubChem CID114297165
Molecular FormulaC11H15Br2NO2S2
Molecular Weight417.19 g/mol
Exact Mass414.89
IUPAC Name5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CBr)CCCC2)sc1Br
InChIInChI=1S/C11H15Br2NO2S2/c1-8-6-9(17-10(8)13)18(15,16)14-11(7-12)4-2-3-5-11/h6,14H,2-5,7H2,1H3
InChIKeyFKBXXXAUNPUQJV-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987960
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
5-bromo-N-(3-cyanothiolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 79996111
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 81130918
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide (CID 114297165) is 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2(CBr)CCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is FKBXXXAUNPUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S2/c1-8-6-9(17-10(8)13)18(15,16)14-11(7-12)4-2-3-5-11/h6,14H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 417.19 g/mol, XLogP of 3.81, 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-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).