3-(1-pyridin-4-ylethylamino)benzenesulfonamide

C13H15N3O2S — CID 43193565

IUPAC3-(1-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10(11-5-7-15-8-6-11)16-12-3-2-4-13(9-12)19(14,17)18/h2-10,16H,1H3,(H2,14,17,18)
InChIKeyPBLOLEDCNGARLA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.90
Rot. Bonds4

About 3-(1-pyridin-4-ylethylamino)benzenesulfonamide

3-(1-pyridin-4-ylethylamino)benzenesulfonamide (PubChem CID 43193565) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-pyridin-4-ylethylamino)benzenesulfonamide
PubChem CID43193565
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-(1-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10(11-5-7-15-8-6-11)16-12-3-2-4-13(9-12)19(14,17)18/h2-10,16H,1H3,(H2,14,17,18)
InChIKeyPBLOLEDCNGARLA-UHFFFAOYSA-N
XLogP1.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of 3-(1-pyridin-4-ylethylamino)benzenesulfonamide (CID 43193565) is 3-(1-pyridin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 3-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for 3-(1-pyridin-4-ylethylamino)benzenesulfonamide is CC(Nc1cccc(S(N)(=O)=O)c1)c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The InChIKey is PBLOLEDCNGARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(11-5-7-15-8-6-11)16-12-3-2-4-13(9-12)19(14,17)18/h2-10,16H,1H3,(H2,14,17,18).
What are the key properties of 3-(1-pyridin-4-ylethylamino)benzenesulfonamide?
3-(1-pyridin-4-ylethylamino)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 43193565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).