N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide

C17H23N3O3S — CID 71808374

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)CCOc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H23N3O3S/c1-20-17-10-6-5-9-15(17)16(19-20)13-18-24(21,22)12-11-23-14-7-3-2-4-8-14/h2-4,7-8,18H,5-6,9-13H2,1H3
InChIKeyNEIUVGPFCZLCAK-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.80
Rot. Bonds7

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide (PubChem CID 71808374) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide
PubChem CID71808374
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)CCOc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H23N3O3S/c1-20-17-10-6-5-9-15(17)16(19-20)13-18-24(21,22)12-11-23-14-7-3-2-4-8-14/h2-4,7-8,18H,5-6,9-13H2,1H3
InChIKeyNEIUVGPFCZLCAK-UHFFFAOYSA-N
XLogP1.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide (CID 71808374) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide is Cn1nc(CNS(=O)(=O)CCOc2ccccc2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The InChIKey is NEIUVGPFCZLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-20-17-10-6-5-9-15(17)16(19-20)13-18-24(21,22)12-11-23-14-7-3-2-4-8-14/h2-4,7-8,18H,5-6,9-13H2,1H3.
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 71808374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).