2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C14H14Br2N2O2S — CID 80712268

IUPAC2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCc2cccnc2)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h2-3,5,7-9,18H,4,6H2,1H3
InChIKeyONLKLGMOCHMOKP-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.44
Rot. Bonds5

About 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 80712268) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID80712268
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCc2cccnc2)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h2-3,5,7-9,18H,4,6H2,1H3
InChIKeyONLKLGMOCHMOKP-UHFFFAOYSA-N
XLogP3.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 80712268) is 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCCc2cccnc2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is ONLKLGMOCHMOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h2-3,5,7-9,18H,4,6H2,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 80712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).