2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide

C17H23N3O4S — CID 42226805

IUPAC2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C17H23N3O4S/c1-4-24-15-8-7-14(13(2)3)12-16(15)25(22,23)19-10-11-20-17(21)6-5-9-18-20/h5-9,12-13,19H,4,10-11H2,1-3H3
InChIKeyNKRIMCJOKLWJCV-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.74
Rot. Bonds8

About 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 42226805) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID42226805
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C17H23N3O4S/c1-4-24-15-8-7-14(13(2)3)12-16(15)25(22,23)19-10-11-20-17(21)6-5-9-18-20/h5-9,12-13,19H,4,10-11H2,1-3H3
InChIKeyNKRIMCJOKLWJCV-UHFFFAOYSA-N
XLogP1.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
CID 62849248
2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 91670292
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
5-bromo-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 90539251
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91670220

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide (CID 42226805) is 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1ncccc1=O.
What is the InChIKey of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is NKRIMCJOKLWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-4-24-15-8-7-14(13(2)3)12-16(15)25(22,23)19-10-11-20-17(21)6-5-9-18-20/h5-9,12-13,19H,4,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 42226805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).