N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

C11H14BrCl2NO2S2 — CID 113295060

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NO2S2/c12-6-11(3-1-2-4-11)7-15-19(16,17)8-5-9(13)18-10(8)14/h5,15H,1-4,6-7H2
InChIKeyGPTFQYNPOOUEPU-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.29
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 113295060) has the molecular formula C11H14BrCl2NO2S2 and a molecular weight of 407.18 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID113295060
Molecular FormulaC11H14BrCl2NO2S2
Molecular Weight407.18 g/mol
Exact Mass404.90
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NO2S2/c12-6-11(3-1-2-4-11)7-15-19(16,17)8-5-9(13)18-10(8)14/h5,15H,1-4,6-7H2
InChIKeyGPTFQYNPOOUEPU-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.29
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

N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-4-chlorobenzenesulfonamide
CID 106613159
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,4-difluorobenzenesulfonamide
CID 113313602
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (CID 113295060) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(NCC1(CBr)CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is GPTFQYNPOOUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S2/c12-6-11(3-1-2-4-11)7-15-19(16,17)8-5-9(13)18-10(8)14/h5,15H,1-4,6-7H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 407.18 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 113295060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).