4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide

C19H24N4O3S — CID 109226302

IUPAC4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N4O3S/c20-27(25,26)18-6-4-15(5-7-18)8-9-22-17-12-16(13-21-14-17)19(24)23-10-2-1-3-11-23/h4-7,12-14,22H,1-3,8-11H2,(H2,20,25,26)
InChIKeyOBGUMEDEBVBCMW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.01
Rot. Bonds6

About 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide

4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 109226302) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID109226302
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N4O3S/c20-27(25,26)18-6-4-15(5-7-18)8-9-22-17-12-16(13-21-14-17)19(24)23-10-2-1-3-11-23/h4-7,12-14,22H,1-3,8-11H2,(H2,20,25,26)
InChIKeyOBGUMEDEBVBCMW-UHFFFAOYSA-N
XLogP2.01
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
N-cyclopropyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109223606
N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109237741
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109184599
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide (CID 109226302) is 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cncc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is OBGUMEDEBVBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-27(25,26)18-6-4-15(5-7-18)8-9-22-17-12-16(13-21-14-17)19(24)23-10-2-1-3-11-23/h4-7,12-14,22H,1-3,8-11H2,(H2,20,25,26).
What are the key properties of 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 109226302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).