N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide

C14H15BrN2O2S — CID 107583973

IUPACN-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CCc2ccncc2)c1
InChIInChI=1S/C14H15BrN2O2S/c1-11-8-13(15)10-14(9-11)17-20(18,19)7-4-12-2-5-16-6-3-12/h2-3,5-6,8-10,17H,4,7H2,1H3
InChIKeyLNIOTOYUEJTIBE-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.14
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide

N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 107583973) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID107583973
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CCc2ccncc2)c1
InChIInChI=1S/C14H15BrN2O2S/c1-11-8-13(15)10-14(9-11)17-20(18,19)7-4-12-2-5-16-6-3-12/h2-3,5-6,8-10,17H,4,7H2,1H3
InChIKeyLNIOTOYUEJTIBE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 60893054
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
3-methyl-5-(2-pyridin-4-ylethylsulfonylamino)thiophene-2-carboxylic acid
CID 60892478
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide (CID 107583973) is N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide is Cc1cc(Br)cc(NS(=O)(=O)CCc2ccncc2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is LNIOTOYUEJTIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-11-8-13(15)10-14(9-11)17-20(18,19)7-4-12-2-5-16-6-3-12/h2-3,5-6,8-10,17H,4,7H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide?
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 107583973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).