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

C16H18F3N3O3S — CID 53323975

IUPACN-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C16H18F3N3O3S/c1-26(24,25)21-14-5-11-3-2-10(4-12(11)6-14)7-22-8-13(9-23)15(20-22)16(17,18)19/h2-4,8,14,21,23H,5-7,9H2,1H3/t14-/m0/s1
InChIKeySEZXDEVLNGBVNM-AWEZNQCLSA-N
MW389.40 g/mol
LogP1.46
Rot. Bonds5

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

N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide (PubChem CID 53323975) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
PubChem CID53323975
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC NameN-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C16H18F3N3O3S/c1-26(24,25)21-14-5-11-3-2-10(4-12(11)6-14)7-22-8-13(9-23)15(20-22)16(17,18)19/h2-4,8,14,21,23H,5-7,9H2,1H3/t14-/m0/s1
InChIKeySEZXDEVLNGBVNM-AWEZNQCLSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide (CID 53323975) is N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1.
What is the InChIKey of N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The InChIKey is SEZXDEVLNGBVNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-26(24,25)21-14-5-11-3-2-10(4-12(11)6-14)7-22-8-13(9-23)15(20-22)16(17,18)19/h2-4,8,14,21,23H,5-7,9H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]methanesulfonamide is sourced from PubChem (CID 53323975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).