N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide

C18H24N4O2S — CID 113035669

IUPACN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C18H24N4O2S/c1-2-13-25(23,24)21-18-10-7-16(14-19-18)20-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,14,20H,2-4,11-13H2,1H3,(H,19,21)
InChIKeyJDPFQDOGJDTJSB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.58
Rot. Bonds7

About N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide

N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113035669) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
PubChem CID113035669
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C18H24N4O2S/c1-2-13-25(23,24)21-18-10-7-16(14-19-18)20-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,14,20H,2-4,11-13H2,1H3,(H,19,21)
InChIKeyJDPFQDOGJDTJSB-UHFFFAOYSA-N
XLogP3.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide (CID 113035669) is N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is JDPFQDOGJDTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-13-25(23,24)21-18-10-7-16(14-19-18)20-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,14,20H,2-4,11-13H2,1H3,(H,19,21).
What are the key properties of N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide?
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113035669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).