N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide

C14H15ClN2O2S — CID 63396584

IUPACN-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c15-8-10-17(12-13-5-2-1-3-6-13)20(18,19)14-7-4-9-16-11-14/h1-7,9,11H,8,10,12H2
InChIKeyBKJXLQLLYNMODG-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.51
Rot. Bonds6

About N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide

N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide (PubChem CID 63396584) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
PubChem CID63396584
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c15-8-10-17(12-13-5-2-1-3-6-13)20(18,19)14-7-4-9-16-11-14/h1-7,9,11H,8,10,12H2
InChIKeyBKJXLQLLYNMODG-UHFFFAOYSA-N
XLogP2.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)pyridine-3-sulfonamide
CID 80673646
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218
N-benzyl-N-[[4-(3-hydroxybutan-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 141072849
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide (CID 63396584) is N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide?
The InChIKey is BKJXLQLLYNMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-8-10-17(12-13-5-2-1-3-6-13)20(18,19)14-7-4-9-16-11-14/h1-7,9,11H,8,10,12H2.
What are the key properties of N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide?
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63396584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).