2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide

C16H18F3N3O2S — CID 91137888

IUPAC2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C16H18F3N3O2S/c17-16(18,19)15-13-3-1-2-4-14(13)22(21-15)12-7-5-11(6-8-12)9-10-25(20,23)24/h5-8H,1-4,9-10H2,(H2,20,23,24)
InChIKeyYAEVTWBKUZQCBG-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide

2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide (PubChem CID 91137888) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
PubChem CID91137888
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C16H18F3N3O2S/c17-16(18,19)15-13-3-1-2-4-14(13)22(21-15)12-7-5-11(6-8-12)9-10-25(20,23)24/h5-8H,1-4,9-10H2,(H2,20,23,24)
InChIKeyYAEVTWBKUZQCBG-UHFFFAOYSA-N
XLogP2.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanol
CID 24825810
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetic acid
CID 50992931
2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
CID 59532263
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
CID 24826369
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]propane-2-sulfonamide
CID 24826368
N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
CID 24826364
N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3159357
1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one
CID 24825909
3-(hydroxymethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
CID 59531753
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978
2-fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzonitrile
CID 69172515
3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
CID 59531708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide (CID 91137888) is 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide is NS(=O)(=O)CCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide?
The InChIKey is YAEVTWBKUZQCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c17-16(18,19)15-13-3-1-2-4-14(13)22(21-15)12-7-5-11(6-8-12)9-10-25(20,23)24/h5-8H,1-4,9-10H2,(H2,20,23,24).
What are the key properties of 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide?
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 91137888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).