N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide

C22H32N4O3S — CID 18929791

IUPACN-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCc2cc(-c3ccc(=O)n(CCN(C)C)n3)ccc2C1
InChIInChI=1S/C22H32N4O3S/c1-4-5-14-30(28,29)24-20-9-8-17-15-19(7-6-18(17)16-20)21-10-11-22(27)26(23-21)13-12-25(2)3/h6-7,10-11,15,20,24H,4-5,8-9,12-14,16H2,1-3H3
InChIKeyXXPPBIJZTVOHBV-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.05
Rot. Bonds9

About N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide

N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide (PubChem CID 18929791) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide
PubChem CID18929791
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCc2cc(-c3ccc(=O)n(CCN(C)C)n3)ccc2C1
InChIInChI=1S/C22H32N4O3S/c1-4-5-14-30(28,29)24-20-9-8-17-15-19(7-6-18(17)16-20)21-10-11-22(27)26(23-21)13-12-25(2)3/h6-7,10-11,15,20,24H,4-5,8-9,12-14,16H2,1-3H3
InChIKeyXXPPBIJZTVOHBV-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide (CID 18929791) is N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCc2cc(-c3ccc(=O)n(CCN(C)C)n3)ccc2C1.
What is the InChIKey of N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide?
The InChIKey is XXPPBIJZTVOHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-4-5-14-30(28,29)24-20-9-8-17-15-19(7-6-18(17)16-20)21-10-11-22(27)26(23-21)13-12-25(2)3/h6-7,10-11,15,20,24H,4-5,8-9,12-14,16H2,1-3H3.
What are the key properties of N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide?
N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide has a molecular weight of 432.59 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[2-(dimethylamino)ethyl]-6-oxopyridazin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 18929791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).