2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C9H15ClN2O3S2 — CID 64603212

IUPAC2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C9H15ClN2O3S2/c1-6(4-5-15-3)12-17(13,14)8-7(2)11-9(10)16-8/h6,12H,4-5H2,1-3H3
InChIKeyADMSGNLCFVDJQB-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.81
Rot. Bonds6

About 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 64603212) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID64603212
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC Name2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C9H15ClN2O3S2/c1-6(4-5-15-3)12-17(13,14)8-7(2)11-9(10)16-8/h6,12H,4-5H2,1-3H3
InChIKeyADMSGNLCFVDJQB-UHFFFAOYSA-N
XLogP1.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107856739
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 54954779
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
N-(4-methoxybutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 64605729
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053227
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 64603212) is 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is COCCC(C)NS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ADMSGNLCFVDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-6(4-5-15-3)12-17(13,14)8-7(2)11-9(10)16-8/h6,12H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64603212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).