3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide

C13H14ClN3O2S — CID 71978290

IUPAC3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9(17-13-6-5-11(14)8-16-13)10-3-2-4-12(7-10)20(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVUHSOUBDWSKCFL-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.56
Rot. Bonds4

About 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide

3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 71978290) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID71978290
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9(17-13-6-5-11(14)8-16-13)10-3-2-4-12(7-10)20(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVUHSOUBDWSKCFL-UHFFFAOYSA-N
XLogP2.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 133358707
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide (CID 71978290) is 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide is CC(Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is VUHSOUBDWSKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9(17-13-6-5-11(14)8-16-13)10-3-2-4-12(7-10)20(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71978290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).