N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C16H23N3O3S2 — CID 20923044

IUPACN,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H23N3O3S2/c1-11(2)9-19(10-12(3)4)24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,20)
InChIKeyQSIXXPUZDCQNMD-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.80
Rot. Bonds7

About N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923044) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923044
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H23N3O3S2/c1-11(2)9-19(10-12(3)4)24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,20)
InChIKeyQSIXXPUZDCQNMD-UHFFFAOYSA-N
XLogP2.80
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-({4-[(3-isopropoxypropyl)(methyl)amino]piperidino}sulfonyl)-2-thienyl]-3(2H)-pyridazinone
CID 20939799
3-[5-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 20939800
N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
6-[5-({4-[Methyl(propan-2-YL)amino]piperidin-1-YL}sulfonyl)thiophen-2-YL]-2,3-dihydropyridazin-3-one
CID 20939822
N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 6624608
N-[2-(cyclohexen-1-yl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20922994
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
N-[3-(azepan-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939805
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-[2-(pyrrolidin-1-YL)ethyl]thiophene-2-sulfonamide
CID 20939807
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)thiophene-2-sulfonamide
CID 20939857
2-[3-(5-methyl-2-thienylsulfonylamino)propyl]-6-phenyl-3(2H)-pyridazinone
CID 25881873
N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}methanesulfonamide
CID 25882011

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923044) is N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is QSIXXPUZDCQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-11(2)9-19(10-12(3)4)24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).