3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide

C13H15N3O4S2 — CID 55560053

IUPAC3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C13H15N3O4S2/c14-21(17,18)12-4-1-5-13(9-12)22(19,20)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2,(H2,14,17,18)
InChIKeyPEAIZIORZSJKBS-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.25
Rot. Bonds6

About 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide

3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide (PubChem CID 55560053) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
PubChem CID55560053
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C13H15N3O4S2/c14-21(17,18)12-4-1-5-13(9-12)22(19,20)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2,(H2,14,17,18)
InChIKeyPEAIZIORZSJKBS-UHFFFAOYSA-N
XLogP0.25
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-amino-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 61298806
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide (CID 55560053) is 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cccnc2)c1.
What is the InChIKey of 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide?
The InChIKey is PEAIZIORZSJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c14-21(17,18)12-4-1-5-13(9-12)22(19,20)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2,(H2,14,17,18).
What are the key properties of 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide?
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide has a molecular weight of 341.41 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 55560053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).