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

C13H14Br2N2O2S2 — CID 81435159

IUPAC2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)n1
InChIInChI=1S/C13H14Br2N2O2S2/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-8(2)6-20-13/h4-6,9,17H,1-3H3
InChIKeyHYPXJDKFAFIPLL-UHFFFAOYSA-N
MW454.21 g/mol
LogP4.32
Rot. Bonds4

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

2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 81435159) has the molecular formula C13H14Br2N2O2S2 and a molecular weight of 454.21 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID81435159
Molecular FormulaC13H14Br2N2O2S2
Molecular Weight454.21 g/mol
Exact Mass451.89
IUPAC Name2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)n1
InChIInChI=1S/C13H14Br2N2O2S2/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-8(2)6-20-13/h4-6,9,17H,1-3H3
InChIKeyHYPXJDKFAFIPLL-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 81435159) is 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1csc(C(C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)n1.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HYPXJDKFAFIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2S2/c1-7-4-11(15)12(5-10(7)14)21(18,19)17-9(3)13-16-8(2)6-20-13/h4-6,9,17H,1-3H3.
What are the key properties of 2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 454.21 g/mol, XLogP of 4.32, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 81435159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).