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

C18H20F3N3O3S — CID 44555730

IUPACN-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)C1CC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2
InChIKeyLWXHZXWWZPAFBP-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.51
Rot. Bonds6

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

N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide (PubChem CID 44555730) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
PubChem CID44555730
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)C1CC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2
InChIKeyLWXHZXWWZPAFBP-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide (CID 44555730) is N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)C1CC1.
What is the InChIKey of N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The InChIKey is LWXHZXWWZPAFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2.
What are the key properties of N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide has a molecular weight of 415.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide is sourced from PubChem (CID 44555730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).