N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide

C10H14BrCl2NO2S2 — CID 113271110

IUPACN-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H14BrCl2NO2S2/c1-3-10(4-2,6-11)14-18(15,16)7-5-8(12)17-9(7)13/h5,14H,3-4,6H2,1-2H3
InChIKeyMNUKCTQVOVPYAU-UHFFFAOYSA-N
MW395.17 g/mol
LogP4.29
Rot. Bonds6

About N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide

N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 113271110) has the molecular formula C10H14BrCl2NO2S2 and a molecular weight of 395.17 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID113271110
Molecular FormulaC10H14BrCl2NO2S2
Molecular Weight395.17 g/mol
Exact Mass392.90
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H14BrCl2NO2S2/c1-3-10(4-2,6-11)14-18(15,16)7-5-8(12)17-9(7)13/h5,14H,3-4,6H2,1-2H3
InChIKeyMNUKCTQVOVPYAU-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
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

2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
CID 107868332
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 107868294
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 113295060
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide (CID 113271110) is N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide is CCC(CC)(CBr)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is MNUKCTQVOVPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrCl2NO2S2/c1-3-10(4-2,6-11)14-18(15,16)7-5-8(12)17-9(7)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide?
N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 395.17 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 113271110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).