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

C13H14Br2N2O3S — CID 103947083

IUPAC2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O3S/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,1-3H3
InChIKeyFTNKFTGWKCKHOM-UHFFFAOYSA-N
MW438.14 g/mol
LogP3.86
Rot. Bonds4

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

2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 103947083) has the molecular formula C13H14Br2N2O3S and a molecular weight of 438.14 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID103947083
Molecular FormulaC13H14Br2N2O3S
Molecular Weight438.14 g/mol
Exact Mass435.91
IUPAC Name2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O3S/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,1-3H3
InChIKeyFTNKFTGWKCKHOM-UHFFFAOYSA-N
XLogP3.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.14
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81435159
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
2,5-dibromo-N-but-3-en-2-yl-4-methylbenzenesulfonamide
CID 115698660
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 103947083) is 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)o1.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is FTNKFTGWKCKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O3S/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,1-3H3.
What are the key properties of 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 438.14 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103947083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).