N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H17ClN2O3S — CID 65032564

IUPACN-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H17ClN2O3S/c1-5-10(4,6-11)13-17(14,15)9-7(2)12-16-8(9)3/h13H,5-6H2,1-4H3
InChIKeyMEHIENQQUFPRIB-UHFFFAOYSA-N
MW280.78 g/mol
LogP1.98
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 65032564) has the molecular formula C10H17ClN2O3S and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID65032564
Molecular FormulaC10H17ClN2O3S
Molecular Weight280.78 g/mol
Exact Mass280.06
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H17ClN2O3S/c1-5-10(4,6-11)13-17(14,15)9-7(2)12-16-8(9)3/h13H,5-6H2,1-4H3
InChIKeyMEHIENQQUFPRIB-UHFFFAOYSA-N
XLogP1.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 51.98
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-(1-chloro-2-methylbutan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65032716
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
CID 93225906
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 70068652
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106367635
3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
CID 110870356
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835464
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 65032564) is N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCC(C)(CCl)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MEHIENQQUFPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3S/c1-5-10(4,6-11)13-17(14,15)9-7(2)12-16-8(9)3/h13H,5-6H2,1-4H3.
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.78 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 65032564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).