2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide

C26H32N4O3S — CID 22576020

IUPAC2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C26H32N4O3S/c1-4-33-24-13-11-20(19(2)3)18-25(24)34(31,32)29-22-10-8-9-21(17-22)23-12-14-26(28-27-23)30-15-6-5-7-16-30/h8-14,17-19,29H,4-7,15-16H2,1-3H3
InChIKeyANSMVHYTPDQJOB-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.46
Rot. Bonds8

About 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 22576020) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID22576020
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C26H32N4O3S/c1-4-33-24-13-11-20(19(2)3)18-25(24)34(31,32)29-22-10-8-9-21(17-22)23-12-14-26(28-27-23)30-15-6-5-7-16-30/h8-14,17-19,29H,4-7,15-16H2,1-3H3
InChIKeyANSMVHYTPDQJOB-UHFFFAOYSA-N
XLogP5.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349111
2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30596083
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 57378375
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-propan-2-ylphenyl)urea
CID 43991446
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide (CID 22576020) is 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is ANSMVHYTPDQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-4-33-24-13-11-20(19(2)3)18-25(24)34(31,32)29-22-10-8-9-21(17-22)23-12-14-26(28-27-23)30-15-6-5-7-16-30/h8-14,17-19,29H,4-7,15-16H2,1-3H3.
What are the key properties of 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22576020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).