N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C15H16F3N3O3S — CID 71808518

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2
InChIInChI=1S/C15H16F3N3O3S/c1-21-14-5-6-24-9-12(14)13(20-21)8-19-25(22,23)11-4-2-3-10(7-11)15(16,17)18/h2-4,7,19H,5-6,8-9H2,1H3
InChIKeyYVTVLEGUSMNFOQ-UHFFFAOYSA-N
MW375.37 g/mol
LogP1.99
Rot. Bonds4

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71808518) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71808518
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2
InChIInChI=1S/C15H16F3N3O3S/c1-21-14-5-6-24-9-12(14)13(20-21)8-19-25(22,23)11-4-2-3-10(7-11)15(16,17)18/h2-4,7,19H,5-6,8-9H2,1H3
InChIKeyYVTVLEGUSMNFOQ-UHFFFAOYSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide 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-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71808518) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YVTVLEGUSMNFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-21-14-5-6-24-9-12(14)13(20-21)8-19-25(22,23)11-4-2-3-10(7-11)15(16,17)18/h2-4,7,19H,5-6,8-9H2,1H3.
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71808518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).