4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C17H19N5O3S — CID 46239740

IUPAC4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCC1(C)CCc2c(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)n[nH]c2C1
InChIInChI=1S/C17H19N5O3S/c1-17(2)8-7-12-13(9-17)20-21-14(12)16-19-15(22-25-16)10-3-5-11(6-4-10)26(18,23)24/h3-6H,7-9H2,1-2H3,(H,20,21)(H2,18,23,24)
InChIKeyBUZSSYDFMVGPRQ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.29
Rot. Bonds3

About 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 46239740) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID46239740
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCC1(C)CCc2c(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)n[nH]c2C1
InChIInChI=1S/C17H19N5O3S/c1-17(2)8-7-12-13(9-17)20-21-14(12)16-19-15(22-25-16)10-3-5-11(6-4-10)26(18,23)24/h3-6H,7-9H2,1-2H3,(H,20,21)(H2,18,23,24)
InChIKeyBUZSSYDFMVGPRQ-UHFFFAOYSA-N
XLogP2.29
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]acetaldehyde
CID 58559090
4-[5-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
CID 46240150
3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole
CID 42535018
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
CID 144999746
4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 167785933
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
CID 145000491
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
CID 145000696
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 144999961
3-[[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]propanoic acid
CID 46846926
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine
CID 144999653
4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 136535361
4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 99793585

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 46239740) is 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CC1(C)CCc2c(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)n[nH]c2C1.
What is the InChIKey of 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is BUZSSYDFMVGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-17(2)8-7-12-13(9-17)20-21-14(12)16-19-15(22-25-16)10-3-5-11(6-4-10)26(18,23)24/h3-6H,7-9H2,1-2H3,(H,20,21)(H2,18,23,24).
What are the key properties of 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 46239740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).