N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C19H22F3N3O3S — CID 25014498

IUPACN-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1
InChIInChI=1S/C19H22F3N3O3S/c1-11(2)29(26,27)24-14-7-12-3-4-15(9-13(12)8-14)25-17-10-28-6-5-16(17)18(23-25)19(20,21)22/h3-4,9,11,14,24H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyDUGQTVPRQNYZHQ-AWEZNQCLSA-N
MW429.46 g/mol
LogP2.76
Rot. Bonds4

About N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 25014498) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID25014498
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1
InChIInChI=1S/C19H22F3N3O3S/c1-11(2)29(26,27)24-14-7-12-3-4-15(9-13(12)8-14)25-17-10-28-6-5-16(17)18(23-25)19(20,21)22/h3-4,9,11,14,24H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyDUGQTVPRQNYZHQ-AWEZNQCLSA-N
XLogP2.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 25014498) is N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3COCC4)cc2C1.
What is the InChIKey of N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is DUGQTVPRQNYZHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-11(2)29(26,27)24-14-7-12-3-4-15(9-13(12)8-14)25-17-10-28-6-5-16(17)18(23-25)19(20,21)22/h3-4,9,11,14,24H,5-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 429.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 25014498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).