2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C14H15BrN2O2S — CID 37265711

IUPAC2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cccnc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-11-4-5-14(13(15)9-11)20(18,19)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyNGJQDGWCZUPLGT-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.67
Rot. Bonds5

About 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 37265711) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID37265711
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cccnc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-11-4-5-14(13(15)9-11)20(18,19)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyNGJQDGWCZUPLGT-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
CID 110345197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 37265711) is 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cccnc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is NGJQDGWCZUPLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-11-4-5-14(13(15)9-11)20(18,19)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3.
What are the key properties of 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 37265711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).