N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide

C14H22N4O3S — CID 126934326

IUPACN-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=c1cccnn1C1CCC(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H22N4O3S/c19-14-4-3-9-15-18(14)13-7-5-12(6-8-13)16-22(20,21)17-10-1-2-11-17/h3-4,9,12-13,16H,1-2,5-8,10-11H2
InChIKeySNUBYNGRDHHRLB-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.66
Rot. Bonds4

About N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide

N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 126934326) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID126934326
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=c1cccnn1C1CCC(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H22N4O3S/c19-14-4-3-9-15-18(14)13-7-5-12(6-8-13)16-22(20,21)17-10-1-2-11-17/h3-4,9,12-13,16H,1-2,5-8,10-11H2
InChIKeySNUBYNGRDHHRLB-UHFFFAOYSA-N
XLogP0.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide (CID 126934326) is N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide is O=c1cccnn1C1CCC(NS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is SNUBYNGRDHHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c19-14-4-3-9-15-18(14)13-7-5-12(6-8-13)16-22(20,21)17-10-1-2-11-17/h3-4,9,12-13,16H,1-2,5-8,10-11H2.
What are the key properties of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126934326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).