1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide

C12H12BrClN2O3S — CID 166239593

IUPAC1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)no1
InChIInChI=1S/C12H12BrClN2O3S/c1-2-10-6-12(15-19-10)16-20(17,18)7-8-3-4-9(13)5-11(8)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyVZXMFDUVCUJABK-UHFFFAOYSA-N
MW379.66 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide

1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 166239593) has the molecular formula C12H12BrClN2O3S and a molecular weight of 379.66 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID166239593
Molecular FormulaC12H12BrClN2O3S
Molecular Weight379.66 g/mol
Exact Mass377.94
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)no1
InChIInChI=1S/C12H12BrClN2O3S/c1-2-10-6-12(15-19-10)16-20(17,18)7-8-3-4-9(13)5-11(8)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyVZXMFDUVCUJABK-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.66
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,2-oxazol-3-yl)-6-methyl-1H-indole-3-sulfonamide
CID 176710987
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
CID 140936519
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 115684180
4-bromo-2-[(2,4-dichlorophenyl)methylsulfonyl]aniline
CID 81207755
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
1-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111587141
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830
4-bromo-1-ethyl-2-methylsulfonylbenzene
CID 123635045

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide (CID 166239593) is 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide is CCc1cc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)no1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is VZXMFDUVCUJABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O3S/c1-2-10-6-12(15-19-10)16-20(17,18)7-8-3-4-9(13)5-11(8)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide?
1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 379.66 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-(5-ethyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 166239593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).