4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide

C14H17N3O2S — CID 4718104

IUPAC4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C14H17N3O2S/c15-20(18,19)14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2,(H2,15,18,19)
InChIKeyBNHRULXKZYEPBQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.06
Rot. Bonds6

About 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide

4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide (PubChem CID 4718104) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
PubChem CID4718104
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C14H17N3O2S/c15-20(18,19)14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2,(H2,15,18,19)
InChIKeyBNHRULXKZYEPBQ-UHFFFAOYSA-N
XLogP1.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
4-[2-[(3-nitrophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294132
4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719674
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide (CID 4718104) is 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2cccnc2)cc1.
What is the InChIKey of 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide?
The InChIKey is BNHRULXKZYEPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-20(18,19)14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2,(H2,15,18,19).
What are the key properties of 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide?
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).