3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H15ClN2O2S — CID 2814680

IUPAC3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-17(10-8-13-6-2-3-9-16-13)20(18,19)14-7-4-5-12(15)11-14/h2-7,9,11H,8,10H2,1H3
InChIKeyFNOCDWYHXFYQKD-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.60
Rot. Bonds5

About 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 2814680) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID2814680
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-17(10-8-13-6-2-3-9-16-13)20(18,19)14-7-4-5-12(15)11-14/h2-7,9,11H,8,10H2,1H3
InChIKeyFNOCDWYHXFYQKD-UHFFFAOYSA-N
XLogP2.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23740440
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 2814680) is 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is FNOCDWYHXFYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-17(10-8-13-6-2-3-9-16-13)20(18,19)14-7-4-5-12(15)11-14/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2814680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).