1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide

C17H23N5O4S — CID 126939478

IUPAC1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2COCC2n2nc3c(cc2=O)CCCC3)cn1C
InChIInChI=1S/C17H23N5O4S/c1-11-18-16(8-21(11)2)27(24,25)20-14-9-26-10-15(14)22-17(23)7-12-5-3-4-6-13(12)19-22/h7-8,14-15,20H,3-6,9-10H2,1-2H3
InChIKeyAAZZZJXVZIAHQJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.08
Rot. Bonds4

About 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide

1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide (PubChem CID 126939478) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
PubChem CID126939478
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2COCC2n2nc3c(cc2=O)CCCC3)cn1C
InChIInChI=1S/C17H23N5O4S/c1-11-18-16(8-21(11)2)27(24,25)20-14-9-26-10-15(14)22-17(23)7-12-5-3-4-6-13(12)19-22/h7-8,14-15,20H,3-6,9-10H2,1-2H3
InChIKeyAAZZZJXVZIAHQJ-UHFFFAOYSA-N
XLogP0.08
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide with MolForge

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Related Compounds

2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939532
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611
2-[4-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939655
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250
1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
CID 126940083
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide (CID 126939478) is 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2COCC2n2nc3c(cc2=O)CCCC3)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide?
The InChIKey is AAZZZJXVZIAHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-11-18-16(8-21(11)2)27(24,25)20-14-9-26-10-15(14)22-17(23)7-12-5-3-4-6-13(12)19-22/h7-8,14-15,20H,3-6,9-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 126939478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).