N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide

C18H20F3N3O3S — CID 44555610

IUPACN-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C1CC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)17-14(10-25)9-24(22-17)8-11-1-2-12-6-15(7-13(12)5-11)23-28(26,27)16-3-4-16/h1-2,5,9,15-16,23,25H,3-4,6-8,10H2/t15-/m1/s1
InChIKeyOYEPHRNTXFDOML-OAHLLOKOSA-N
MW415.44 g/mol
LogP1.99
Rot. Bonds6

About N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide

N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide (PubChem CID 44555610) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide
PubChem CID44555610
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C1CC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)17-14(10-25)9-24(22-17)8-11-1-2-12-6-15(7-13(12)5-11)23-28(26,27)16-3-4-16/h1-2,5,9,15-16,23,25H,3-4,6-8,10H2/t15-/m1/s1
InChIKeyOYEPHRNTXFDOML-OAHLLOKOSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2s)-5-{[4-(Hydroxymethyl)-3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]methyl}-2,3-Dihydro-1h-Inden-2-Yl]propane-2-Sulfonamide
CID 44556366
(R)-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1 H-inden-2-yl)propane-2-sulfonamide
CID 44555548
1-[[(2R)-2-(dimethylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-4-(hydroxymethyl)-3-(trifluoromethyl)pyrazole
CID 44555553
(R)-1,1,1-trifluoro-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 44555607
N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)cyclopropanesulfonamide
CID 44555730
N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 44555733
N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
CID 44556365
N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 53321322
(S)-N-(5-((4-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 44555668
N-[(2S)-5-[[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 44555669
(S)-N-(5-((4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 44555729
(S)-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 53323975

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide (CID 44555610) is N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide is O=S(=O)(N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C1CC1.
What is the InChIKey of N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide?
The InChIKey is OYEPHRNTXFDOML-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c19-18(20,21)17-14(10-25)9-24(22-17)8-11-1-2-12-6-15(7-13(12)5-11)23-28(26,27)16-3-4-16/h1-2,5,9,15-16,23,25H,3-4,6-8,10H2/t15-/m1/s1.
What are the key properties of N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide?
N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide has a molecular weight of 415.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 44555610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).