N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide

C11H19BrN2O2S2 — CID 114168907

IUPACN-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H19BrN2O2S2/c1-4-9(5-2)10(12)6-14-18(15,16)11-7-13-8(3)17-11/h7,9-10,14H,4-6H2,1-3H3
InChIKeyCWJVWROOMDTVJP-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.93
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 114168907) has the molecular formula C11H19BrN2O2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID114168907
Molecular FormulaC11H19BrN2O2S2
Molecular Weight355.32 g/mol
Exact Mass354.01
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H19BrN2O2S2/c1-4-9(5-2)10(12)6-14-18(15,16)11-7-13-8(3)17-11/h7,9-10,14H,4-6H2,1-3H3
InChIKeyCWJVWROOMDTVJP-UHFFFAOYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
CID 106288687
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 114168907) is N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(CC)C(Br)CNS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CWJVWROOMDTVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2S2/c1-4-9(5-2)10(12)6-14-18(15,16)11-7-13-8(3)17-11/h7,9-10,14H,4-6H2,1-3H3.
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 355.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114168907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).