1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide

C16H19F2N3O2S — CID 99718097

IUPAC1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
SMILESCN([C@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C16H19F2N3O2S/c1-20-15-7-4-8-16(11(15)9-19-20)21(2)24(22,23)10-12-13(17)5-3-6-14(12)18/h3,5-6,9,16H,4,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyYKHIPKZREJTPQD-INIZCTEOSA-N
MW355.41 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide

1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide (PubChem CID 99718097) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
PubChem CID99718097
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
SMILESCN([C@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C16H19F2N3O2S/c1-20-15-7-4-8-16(11(15)9-19-20)21(2)24(22,23)10-12-13(17)5-3-6-14(12)18/h3,5-6,9,16H,4,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyYKHIPKZREJTPQD-INIZCTEOSA-N
XLogP2.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide (CID 99718097) is 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide is CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide?
The InChIKey is YKHIPKZREJTPQD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-20-15-7-4-8-16(11(15)9-19-20)21(2)24(22,23)10-12-13(17)5-3-6-14(12)18/h3,5-6,9,16H,4,7-8,10H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide has a molecular weight of 355.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide is sourced from PubChem (CID 99718097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).