3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 3799880

IUPAC3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c14-10-7-11(15)9-13(8-10)20(18,19)17-6-4-12-3-1-2-5-16-12/h1-3,5,7-9,17H,4,6H2
InChIKeyMJGXLCZOJRWLKT-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.91
Rot. Bonds5

About 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 3799880) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID3799880
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c14-10-7-11(15)9-13(8-10)20(18,19)17-6-4-12-3-1-2-5-16-12/h1-3,5,7-9,17H,4,6H2
InChIKeyMJGXLCZOJRWLKT-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 64607542
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 3799880) is 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is MJGXLCZOJRWLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c14-10-7-11(15)9-13(8-10)20(18,19)17-6-4-12-3-1-2-5-16-12/h1-3,5,7-9,17H,4,6H2.
What are the key properties of 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3799880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).