N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H17BrN2O3S — CID 106441038

IUPACN-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCCCC2Br)no1
InChIInChI=1S/C11H17BrN2O3S/c1-8-6-9(13-17-8)7-18(15,16)14-11-5-3-2-4-10(11)12/h6,10-11,14H,2-5,7H2,1H3
InChIKeyRWYGNXKMTWNBMO-UHFFFAOYSA-N
MW337.24 g/mol
LogP2.11
Rot. Bonds4

About N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 106441038) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID106441038
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC NameN-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCCCC2Br)no1
InChIInChI=1S/C11H17BrN2O3S/c1-8-6-9(13-17-8)7-18(15,16)14-11-5-3-2-4-10(11)12/h6,10-11,14H,2-5,7H2,1H3
InChIKeyRWYGNXKMTWNBMO-UHFFFAOYSA-N
XLogP2.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 106441038) is N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NC2CCCCC2Br)no1.
What is the InChIKey of N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RWYGNXKMTWNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8-6-9(13-17-8)7-18(15,16)14-11-5-3-2-4-10(11)12/h6,10-11,14H,2-5,7H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 106441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).