N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide

C13H18F3N3O2S — CID 72718588

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)12-10-3-1-2-4-11(10)19(18-12)8-7-17-22(20,21)9-5-6-9/h9,17H,1-8H2
InChIKeyVSZKQVVDDKXCBW-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide (PubChem CID 72718588) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide
PubChem CID72718588
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)12-10-3-1-2-4-11(10)19(18-12)8-7-17-22(20,21)9-5-6-9/h9,17H,1-8H2
InChIKeyVSZKQVVDDKXCBW-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 72718605
N-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)methanesulfonamide
CID 71808344
N-((1-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)cyclopropanesulfonamide
CID 71808431
3,3,3-trifluoro-N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)propane-1-sulfonamide
CID 91819432
11-(3,3,3-Trifluoropropanesulfonyl)-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene
CID 119102663
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine
CID 66874630
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine hydrochloride
CID 66875517
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90162133
2-[3-(Fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
CID 142262258
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)butane-1-sulfonamide
CID 71807777
N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}methanesulfonamide
CID 72718587
1-phenyl-N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}methanesulfonamide
CID 72718590

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide (CID 72718588) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is VSZKQVVDDKXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c14-13(15,16)12-10-3-1-2-4-11(10)19(18-12)8-7-17-22(20,21)9-5-6-9/h9,17H,1-8H2.
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 72718588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).