5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C20H22N4O2S2 — CID 26843024

IUPAC5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)s1
InChIInChI=1S/C20H22N4O2S2/c1-2-17-9-12-20(27-17)28(25,26)23-16-7-5-15(6-8-16)18-10-11-19(22-21-18)24-13-3-4-14-24/h5-12,23H,2-4,13-14H2,1H3
InChIKeyWNXSFBARDQXENB-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.17
Rot. Bonds6

About 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 26843024) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID26843024
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC Name5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)s1
InChIInChI=1S/C20H22N4O2S2/c1-2-17-9-12-20(27-17)28(25,26)23-16-7-5-15(6-8-16)18-10-11-19(22-21-18)24-13-3-4-14-24/h5-12,23H,2-4,13-14H2,1H3
InChIKeyWNXSFBARDQXENB-UHFFFAOYSA-N
XLogP4.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 121031462
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
2,5-difluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843103
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26843009
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043584
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520795
5-ethyl-N-[4-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 110732438
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 26843024) is 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)s1.
What is the InChIKey of 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WNXSFBARDQXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c1-2-17-9-12-20(27-17)28(25,26)23-16-7-5-15(6-8-16)18-10-11-19(22-21-18)24-13-3-4-14-24/h5-12,23H,2-4,13-14H2,1H3.
What are the key properties of 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 414.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26843024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).