N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C16H16N4O5S — CID 122278289

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCn3nc(C4CC4)ccc3=O)ccc2o1
InChIInChI=1S/C16H16N4O5S/c21-15-6-4-12(10-1-2-10)19-20(15)8-7-17-26(23,24)11-3-5-14-13(9-11)18-16(22)25-14/h3-6,9-10,17H,1-2,7-8H2,(H,18,22)
InChIKeyIPDFSTWFJOQCMV-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 122278289) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID122278289
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCn3nc(C4CC4)ccc3=O)ccc2o1
InChIInChI=1S/C16H16N4O5S/c21-15-6-4-12(10-1-2-10)19-20(15)8-7-17-26(23,24)11-3-5-14-13(9-11)18-16(22)25-14/h3-6,9-10,17H,1-2,7-8H2,(H,18,22)
InChIKeyIPDFSTWFJOQCMV-UHFFFAOYSA-N
XLogP0.53
TPSA127.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-difluorobenzenesulfonamide
CID 122278279
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122278224
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122278206
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122278241
2,4,5-trichloro-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 122278260
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide
CID 122278193
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024908
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 122278289) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)NCCn3nc(C4CC4)ccc3=O)ccc2o1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is IPDFSTWFJOQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c21-15-6-4-12(10-1-2-10)19-20(15)8-7-17-26(23,24)11-3-5-14-13(9-11)18-16(22)25-14/h3-6,9-10,17H,1-2,7-8H2,(H,18,22).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 376.39 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).