3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide

C13H14ClN3O2S — CID 83167376

IUPAC3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1cnccc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9(17-13-8-16-6-5-12(13)14)10-3-2-4-11(7-10)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)
InChIKeyPEHJSBXNGRFBGU-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.56
Rot. Bonds4

About 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide

3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 83167376) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID83167376
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1cnccc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9(17-13-8-16-6-5-12(13)14)10-3-2-4-11(7-10)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)
InChIKeyPEHJSBXNGRFBGU-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-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 97072580
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide (CID 83167376) is 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide is CC(Nc1cnccc1Cl)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is PEHJSBXNGRFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9(17-13-8-16-6-5-12(13)14)10-3-2-4-11(7-10)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19).
What are the key properties of 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide?
3-[1-[(4-chloro-3-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-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 83167376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).