N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide

C14H14BrClN2O2S — CID 79041281

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-10-13(15)6-7-14(17-10)18-21(19,20)12-4-2-11(3-5-12)8-9-16/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyRWKQNCPUEBKQLI-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.73
Rot. Bonds5

About N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide (PubChem CID 79041281) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
PubChem CID79041281
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-10-13(15)6-7-14(17-10)18-21(19,20)12-4-2-11(3-5-12)8-9-16/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyRWKQNCPUEBKQLI-UHFFFAOYSA-N
XLogP3.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide with MolForge

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 79048643
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385
4-(2-chloroethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787510
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 79048598
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide (CID 79041281) is N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide?
The InChIKey is RWKQNCPUEBKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-10-13(15)6-7-14(17-10)18-21(19,20)12-4-2-11(3-5-12)8-9-16/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide is sourced from PubChem (CID 79041281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).