3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

C15H16ClN3O3S — CID 35511627

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-3-6-14(10-12)23(21,22)19-9-7-15(20)18-11-13-5-1-2-8-17-13/h1-6,8,10,19H,7,9,11H2,(H,18,20)
InChIKeyAIIJXCANUGXMCU-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.72
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 35511627) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID35511627
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-3-6-14(10-12)23(21,22)19-9-7-15(20)18-11-13-5-1-2-8-17-13/h1-6,8,10,19H,7,9,11H2,(H,18,20)
InChIKeyAIIJXCANUGXMCU-UHFFFAOYSA-N
XLogP1.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55462431
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38529778
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 46559131
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 35511627) is 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccccn1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is AIIJXCANUGXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-4-3-6-14(10-12)23(21,22)19-9-7-15(20)18-11-13-5-1-2-8-17-13/h1-6,8,10,19H,7,9,11H2,(H,18,20).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 353.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 35511627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).