4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide

C16H22N4O4S2 — CID 113028955

IUPAC4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H22N4O4S2/c1-2-11-25(21,22)20-16-8-5-14(12-19-16)18-10-9-13-3-6-15(7-4-13)26(17,23)24/h3-8,12,18H,2,9-11H2,1H3,(H,19,20)(H2,17,23,24)
InChIKeyLCFSVGHJUVOGAQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.54
Rot. Bonds9

About 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 113028955) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID113028955
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC Name4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H22N4O4S2/c1-2-11-25(21,22)20-16-8-5-14(12-19-16)18-10-9-13-3-6-15(7-4-13)26(17,23)24/h3-8,12,18H,2,9-11H2,1H3,(H,19,20)(H2,17,23,24)
InChIKeyLCFSVGHJUVOGAQ-UHFFFAOYSA-N
XLogP1.54
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028945
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042623
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide (CID 113028955) is 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is LCFSVGHJUVOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-2-11-25(21,22)20-16-8-5-14(12-19-16)18-10-9-13-3-6-15(7-4-13)26(17,23)24/h3-8,12,18H,2,9-11H2,1H3,(H,19,20)(H2,17,23,24).
What are the key properties of 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113028955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).