2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

C12H13Br2N3O3S — CID 103768332

IUPAC2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(Br)c(C)cc2Br)n1
InChIInChI=1S/C12H13Br2N3O3S/c1-7-5-10(14)11(6-9(7)13)21(18,19)15-4-3-12-16-8(2)17-20-12/h5-6,15H,3-4H2,1-2H3
InChIKeyOBSLNODGRKIUMZ-UHFFFAOYSA-N
MW439.13 g/mol
LogP2.73
Rot. Bonds5

About 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 103768332) has the molecular formula C12H13Br2N3O3S and a molecular weight of 439.13 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID103768332
Molecular FormulaC12H13Br2N3O3S
Molecular Weight439.13 g/mol
Exact Mass436.90
IUPAC Name2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(Br)c(C)cc2Br)n1
InChIInChI=1S/C12H13Br2N3O3S/c1-7-5-10(14)11(6-9(7)13)21(18,19)15-4-3-12-16-8(2)17-20-12/h5-6,15H,3-4H2,1-2H3
InChIKeyOBSLNODGRKIUMZ-UHFFFAOYSA-N
XLogP2.73
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 113254409
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
2,5-dibromo-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81434950
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
2,4,6-trichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 47087293
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 80711931
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413720
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 103768332) is 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Cc1noc(CCNS(=O)(=O)c2cc(Br)c(C)cc2Br)n1.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is OBSLNODGRKIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O3S/c1-7-5-10(14)11(6-9(7)13)21(18,19)15-4-3-12-16-8(2)17-20-12/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 439.13 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103768332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).