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

C18H19F6N3O2S — CID 44555667

IUPACN-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)cc2C1
InChIInChI=1S/C18H19F6N3O2S/c1-10(2)30(28,29)26-14-6-12-4-3-11(5-13(12)7-14)9-27-16(18(22,23)24)8-15(25-27)17(19,20)21/h3-5,8,10,14,26H,6-7,9H2,1-2H3/t14-/m0/s1
InChIKeyHIPNHNLFGMETKO-AWEZNQCLSA-N
MW455.42 g/mol
LogP3.76
Rot. Bonds5

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

N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 44555667) has the molecular formula C18H19F6N3O2S and a molecular weight of 455.42 g/mol. Its IUPAC name is N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID44555667
Molecular FormulaC18H19F6N3O2S
Molecular Weight455.42 g/mol
Exact Mass455.11
IUPAC NameN-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)cc2C1
InChIInChI=1S/C18H19F6N3O2S/c1-10(2)30(28,29)26-14-6-12-4-3-11(5-13(12)7-14)9-27-16(18(22,23)24)8-15(25-27)17(19,20)21/h3-5,8,10,14,26H,6-7,9H2,1-2H3/t14-/m0/s1
InChIKeyHIPNHNLFGMETKO-AWEZNQCLSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
CID 44556365
(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-((1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 44555671
(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-((3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 53323974
N-[(2S)-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 53325272
N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 24936160
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71808638
2,2,2-trifluoro-N-[1-(3-{3-[(4-fluorophenylamino)methyl]-1-methyl-1H-pyrazol-5-yl}phenyl)-1-methylethyl]ethanesulfonamide
CID 11167630

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 44555667) is N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)cc2C1.
What is the InChIKey of N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is HIPNHNLFGMETKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F6N3O2S/c1-10(2)30(28,29)26-14-6-12-4-3-11(5-13(12)7-14)9-27-16(18(22,23)24)8-15(25-27)17(19,20)21/h3-5,8,10,14,26H,6-7,9H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 455.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 44555667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).