N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide

C15H20N4O2S — CID 113035551

IUPACN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H20N4O2S/c1-4-22(20,21)18-15-10-7-13(11-16-15)17-12-5-8-14(9-6-12)19(2)3/h5-11,17H,4H2,1-3H3,(H,16,18)
InChIKeyJYIVPRPVYUICSE-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.65
Rot. Bonds6

About N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide (PubChem CID 113035551) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
PubChem CID113035551
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H20N4O2S/c1-4-22(20,21)18-15-10-7-13(11-16-15)17-12-5-8-14(9-6-12)19(2)3/h5-11,17H,4H2,1-3H3,(H,16,18)
InChIKeyJYIVPRPVYUICSE-UHFFFAOYSA-N
XLogP2.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.65
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-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113035556
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
CID 113025774
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113035362
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide (CID 113035551) is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide?
The InChIKey is JYIVPRPVYUICSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-22(20,21)18-15-10-7-13(11-16-15)17-12-5-8-14(9-6-12)19(2)3/h5-11,17H,4H2,1-3H3,(H,16,18).
What are the key properties of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide?
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113035551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).