N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide

C17H25N5O2S — CID 59231143

IUPACN-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H25N5O2S/c1-2-25(23,24)18-13-14-5-7-15(8-6-14)19-16-9-10-17(21-20-16)22-11-3-4-12-22/h3-4,9-12,14-15,18H,2,5-8,13H2,1H3,(H,19,20)
InChIKeyHGFIVEGTKDNOEE-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.18
Rot. Bonds7

About N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 59231143) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID59231143
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H25N5O2S/c1-2-25(23,24)18-13-14-5-7-15(8-6-14)19-16-9-10-17(21-20-16)22-11-3-4-12-22/h3-4,9-12,14-15,18H,2,5-8,13H2,1H3,(H,19,20)
InChIKeyHGFIVEGTKDNOEE-UHFFFAOYSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide (CID 59231143) is N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is HGFIVEGTKDNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-2-25(23,24)18-13-14-5-7-15(8-6-14)19-16-9-10-17(21-20-16)22-11-3-4-12-22/h3-4,9-12,14-15,18H,2,5-8,13H2,1H3,(H,19,20).
What are the key properties of N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 59231143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).