N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide

C21H21N5O3S — CID 90539263

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)n1
InChIInChI=1S/C21H21N5O3S/c1-15-13-16(2)26(23-15)20-9-10-21(27)25(24-20)12-11-22-30(28,29)19-8-7-17-5-3-4-6-18(17)14-19/h3-10,13-14,22H,11-12H2,1-2H3
InChIKeyNORUHNFYOLYZCY-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 90539263) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID90539263
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)n1
InChIInChI=1S/C21H21N5O3S/c1-15-13-16(2)26(23-15)20-9-10-21(27)25(24-20)12-11-22-30(28,29)19-8-7-17-5-3-4-6-18(17)14-19/h3-10,13-14,22H,11-12H2,1-2H3
InChIKeyNORUHNFYOLYZCY-UHFFFAOYSA-N
XLogP2.18
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 90539225
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90539287
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide
CID 90539285
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 41241586
5-bromo-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 90539251
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide
CID 90539115
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
CID 90538881
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 90539263) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide is Cc1cc(C)n(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is NORUHNFYOLYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-15-13-16(2)26(23-15)20-9-10-21(27)25(24-20)12-11-22-30(28,29)19-8-7-17-5-3-4-6-18(17)14-19/h3-10,13-14,22H,11-12H2,1-2H3.
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 423.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90539263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).