N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C19H24F3N3O2S — CID 44555671

IUPACN-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCCn1nc(C(F)(F)F)cc1Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)C(C)C)C2
InChIInChI=1S/C19H24F3N3O2S/c1-4-25-17(11-18(23-25)19(20,21)22)8-13-5-6-14-9-16(10-15(14)7-13)24-28(26,27)12(2)3/h5-7,11-12,16,24H,4,8-10H2,1-3H3/t16-/m0/s1
InChIKeyLBZYXAPTJDLSLZ-INIZCTEOSA-N
MW415.48 g/mol
LogP3.31
Rot. Bonds6

About N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 44555671) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID44555671
Molecular FormulaC19H24F3N3O2S
Molecular Weight415.48 g/mol
Exact Mass415.15
IUPAC NameN-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCCn1nc(C(F)(F)F)cc1Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)C(C)C)C2
InChIInChI=1S/C19H24F3N3O2S/c1-4-25-17(11-18(23-25)19(20,21)22)8-13-5-6-14-9-16(10-15(14)7-13)24-28(26,27)12(2)3/h5-7,11-12,16,24H,4,8-10H2,1-3H3/t16-/m0/s1
InChIKeyLBZYXAPTJDLSLZ-INIZCTEOSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 44555671) is N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CCn1nc(C(F)(F)F)cc1Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)C(C)C)C2.
What is the InChIKey of N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is LBZYXAPTJDLSLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N3O2S/c1-4-25-17(11-18(23-25)19(20,21)22)8-13-5-6-14-9-16(10-15(14)7-13)24-28(26,27)12(2)3/h5-7,11-12,16,24H,4,8-10H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 415.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 44555671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).