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

C17H20F3N3O2S — CID 126772467

IUPACN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(C1CCCc2c1cnn2C)S(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2S/c1-22-15-8-5-9-16(13(15)10-21-22)23(2)26(24,25)11-12-6-3-4-7-14(12)17(18,19)20/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3
InChIKeyMKRBKGWZOZFBFN-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.28
Rot. Bonds4

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

N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 126772467) has the molecular formula C17H20F3N3O2S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID126772467
Molecular FormulaC17H20F3N3O2S
Molecular Weight387.43 g/mol
Exact Mass387.12
IUPAC NameN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(C1CCCc2c1cnn2C)S(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2S/c1-22-15-8-5-9-16(13(15)10-21-22)23(2)26(24,25)11-12-6-3-4-7-14(12)17(18,19)20/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3
InChIKeyMKRBKGWZOZFBFN-UHFFFAOYSA-N
XLogP3.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999709
(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97070120
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
CID 97238870
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-(2-ethyl-6-methylphenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 60924897
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
CID 166231848
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
methyl 3-[(4R)-4-[[3-(4-methoxyphenyl)sulfonyl-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-4,5,6,7-tetrahydroindazol-1-yl]propanoate
CID 59153069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 126772467) is N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is CN(C1CCCc2c1cnn2C)S(=O)(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is MKRBKGWZOZFBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2S/c1-22-15-8-5-9-16(13(15)10-21-22)23(2)26(24,25)11-12-6-3-4-7-14(12)17(18,19)20/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3.
What are the key properties of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 126772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).