1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide

C15H18ClN3O3S — CID 90615352

IUPAC1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCn1ncc2c1CCOC2
InChIInChI=1S/C15H18ClN3O3S/c16-14-4-2-1-3-12(14)11-23(20,21)18-6-7-19-15-5-8-22-10-13(15)9-17-19/h1-4,9,18H,5-8,10-11H2
InChIKeyNBOJGSATJJMTIS-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90615352) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID90615352
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCn1ncc2c1CCOC2
InChIInChI=1S/C15H18ClN3O3S/c16-14-4-2-1-3-12(14)11-23(20,21)18-6-7-19-15-5-8-22-10-13(15)9-17-19/h1-4,9,18H,5-8,10-11H2
InChIKeyNBOJGSATJJMTIS-UHFFFAOYSA-N
XLogP1.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide (CID 90615352) is 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCn1ncc2c1CCOC2.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is NBOJGSATJJMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c16-14-4-2-1-3-12(14)11-23(20,21)18-6-7-19-15-5-8-22-10-13(15)9-17-19/h1-4,9,18H,5-8,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90615352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).