N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

C20H28N4O3S — CID 59230807

IUPACN-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccc(Oc3ccccc3)nn2)CC1
InChIInChI=1S/C20H28N4O3S/c1-15(2)28(25,26)21-14-16-8-10-17(11-9-16)22-19-12-13-20(24-23-19)27-18-6-4-3-5-7-18/h3-7,12-13,15-17,21H,8-11,14H2,1-2H3,(H,22,23)
InChIKeyRDAUDQXDEFUWDV-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.57
Rot. Bonds8

About N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 59230807) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID59230807
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccc(Oc3ccccc3)nn2)CC1
InChIInChI=1S/C20H28N4O3S/c1-15(2)28(25,26)21-14-16-8-10-17(11-9-16)22-19-12-13-20(24-23-19)27-18-6-4-3-5-7-18/h3-7,12-13,15-17,21H,8-11,14H2,1-2H3,(H,22,23)
InChIKeyRDAUDQXDEFUWDV-UHFFFAOYSA-N
XLogP3.57
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 59230807) is N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2ccc(Oc3ccccc3)nn2)CC1.
What is the InChIKey of N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is RDAUDQXDEFUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-15(2)28(25,26)21-14-16-8-10-17(11-9-16)22-19-12-13-20(24-23-19)27-18-6-4-3-5-7-18/h3-7,12-13,15-17,21H,8-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-phenoxypyridazin-3-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 59230807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).