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

C13H14Br2N2O2S2 — CID 81435158

IUPAC2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1nccs1
InChIInChI=1S/C13H14Br2N2O2S2/c1-3-11(13-16-4-5-20-13)17-21(18,19)12-7-9(14)8(2)6-10(12)15/h4-7,11,17H,3H2,1-2H3
InChIKeyCQNMYMHQYUESMF-UHFFFAOYSA-N
MW454.21 g/mol
LogP4.41
Rot. Bonds5

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

2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 81435158) 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-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID81435158
Molecular FormulaC13H14Br2N2O2S2
Molecular Weight454.21 g/mol
Exact Mass451.89
IUPAC Name2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1nccs1
InChIInChI=1S/C13H14Br2N2O2S2/c1-3-11(13-16-4-5-20-13)17-21(18,19)12-7-9(14)8(2)6-10(12)15/h4-7,11,17H,3H2,1-2H3
InChIKeyCQNMYMHQYUESMF-UHFFFAOYSA-N
XLogP4.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
(2R)-2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]butanoic acid
CID 81327907
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289700
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81435159

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 81435158) is 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1nccs1.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is CQNMYMHQYUESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2S2/c1-3-11(13-16-4-5-20-13)17-21(18,19)12-7-9(14)8(2)6-10(12)15/h4-7,11,17H,3H2,1-2H3.
What are the key properties of 2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 454.21 g/mol, XLogP of 4.41, 5 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-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 81435158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).