5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide

C12H17Br2NO2S2 — CID 113295045

IUPAC5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C12H17Br2NO2S2/c1-9-10(6-11(14)18-9)19(16,17)15-8-12(7-13)4-2-3-5-12/h6,15H,2-5,7-8H2,1H3
InChIKeyYSRBWHWHYCUIHV-UHFFFAOYSA-N
MW431.22 g/mol
LogP4.05
Rot. Bonds5

About 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide

5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 113295045) has the molecular formula C12H17Br2NO2S2 and a molecular weight of 431.22 g/mol. Its IUPAC name is 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
PubChem CID113295045
Molecular FormulaC12H17Br2NO2S2
Molecular Weight431.22 g/mol
Exact Mass428.91
IUPAC Name5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C12H17Br2NO2S2/c1-9-10(6-11(14)18-9)19(16,17)15-8-12(7-13)4-2-3-5-12/h6,15H,2-5,7-8H2,1H3
InChIKeyYSRBWHWHYCUIHV-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.22
LogP ≤ 54.05
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-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 113295060
5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 107165046
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 113443450
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide (CID 113295045) is 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC1(CBr)CCCC1.
What is the InChIKey of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is YSRBWHWHYCUIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2S2/c1-9-10(6-11(14)18-9)19(16,17)15-8-12(7-13)4-2-3-5-12/h6,15H,2-5,7-8H2,1H3.
What are the key properties of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 431.22 g/mol, XLogP of 4.05, 5 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]methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 113295045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).