5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide

C11H16BrCl2NO2S2 — CID 106256219

IUPAC5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
SMILESCCC(CC)(CCl)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H16BrCl2NO2S2/c1-3-11(4-2,6-13)7-15-19(16,17)9-5-8(14)10(12)18-9/h5,15H,3-4,6-7H2,1-2H3
InChIKeyWGTOATGYVPCBDO-UHFFFAOYSA-N
MW409.20 g/mol
LogP4.49
Rot. Bonds7

About 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide (PubChem CID 106256219) has the molecular formula C11H16BrCl2NO2S2 and a molecular weight of 409.20 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
PubChem CID106256219
Molecular FormulaC11H16BrCl2NO2S2
Molecular Weight409.20 g/mol
Exact Mass406.92
IUPAC Name5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
SMILESCCC(CC)(CCl)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H16BrCl2NO2S2/c1-3-11(4-2,6-13)7-15-19(16,17)9-5-8(14)10(12)18-9/h5,15H,3-4,6-7H2,1-2H3
InChIKeyWGTOATGYVPCBDO-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.20
LogP ≤ 54.49
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-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
3,5-dichloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256201
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 115302757
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide (CID 106256219) is 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide is CCC(CC)(CCl)CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide?
The InChIKey is WGTOATGYVPCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrCl2NO2S2/c1-3-11(4-2,6-13)7-15-19(16,17)9-5-8(14)10(12)18-9/h5,15H,3-4,6-7H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide has a molecular weight of 409.20 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106256219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).