N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H19ClN2O3S — CID 114008819

IUPACN-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCCCCCl
InChIInChI=1S/C11H19ClN2O3S/c1-9-11(10(2)17-14-9)18(15,16)13-8-6-4-3-5-7-12/h13H,3-8H2,1-2H3
InChIKeyYOPIDEGBVSYLRD-UHFFFAOYSA-N
MW294.80 g/mol
LogP2.37
Rot. Bonds8

About N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 114008819) has the molecular formula C11H19ClN2O3S and a molecular weight of 294.80 g/mol. Its IUPAC name is N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID114008819
Molecular FormulaC11H19ClN2O3S
Molecular Weight294.80 g/mol
Exact Mass294.08
IUPAC NameN-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCCCCCl
InChIInChI=1S/C11H19ClN2O3S/c1-9-11(10(2)17-14-9)18(15,16)13-8-6-4-3-5-7-12/h13H,3-8H2,1-2H3
InChIKeyYOPIDEGBVSYLRD-UHFFFAOYSA-N
XLogP2.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1,2-oxazole-4-sulfonamide
CID 55681869
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 114008819) is N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YOPIDEGBVSYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3S/c1-9-11(10(2)17-14-9)18(15,16)13-8-6-4-3-5-7-12/h13H,3-8H2,1-2H3.
What are the key properties of N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 294.80 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 114008819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).