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

C17H23N3O2S — CID 71808348

IUPAC1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nn(C)c3c2CCCC3)c1
InChIInChI=1S/C17H23N3O2S/c1-13-6-5-7-14(10-13)12-23(21,22)18-11-16-15-8-3-4-9-17(15)20(2)19-16/h5-7,10,18H,3-4,8-9,11-12H2,1-2H3
InChIKeyMYVZDMKFFPFTMD-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.23
Rot. Bonds5

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

1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide (PubChem CID 71808348) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
PubChem CID71808348
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nn(C)c3c2CCCC3)c1
InChIInChI=1S/C17H23N3O2S/c1-13-6-5-7-14(10-13)12-23(21,22)18-11-16-15-8-3-4-9-17(15)20(2)19-16/h5-7,10,18H,3-4,8-9,11-12H2,1-2H3
InChIKeyMYVZDMKFFPFTMD-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide (CID 71808348) is 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NCc2nn(C)c3c2CCCC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The InChIKey is MYVZDMKFFPFTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-6-5-7-14(10-13)12-23(21,22)18-11-16-15-8-3-4-9-17(15)20(2)19-16/h5-7,10,18H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71808348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).