N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide

C18H20F3N3O2S — CID 24826369

IUPACN-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C1CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-3-1-2-4-16(15)24(23-17)13-7-5-12(6-8-13)11-22-27(25,26)14-9-10-14/h5-8,14,22H,1-4,9-11H2
InChIKeyZNIGCHIXGDYVHL-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.35
Rot. Bonds5

About N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide

N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide (PubChem CID 24826369) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
PubChem CID24826369
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C1CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-3-1-2-4-16(15)24(23-17)13-7-5-12(6-8-13)11-22-27(25,26)14-9-10-14/h5-8,14,22H,1-4,9-11H2
InChIKeyZNIGCHIXGDYVHL-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide (CID 24826369) is N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide is O=S(=O)(NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C1CC1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide?
The InChIKey is ZNIGCHIXGDYVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-3-1-2-4-16(15)24(23-17)13-7-5-12(6-8-13)11-22-27(25,26)14-9-10-14/h5-8,14,22H,1-4,9-11H2.
What are the key properties of N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide?
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 24826369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).